SDF/Mol File of EDTA (C10H16N2O8)
Identification of EDTA Chemical Compound
Chemical Formula | C10H16N2O8 |
---|---|
Molecular Weight | 292.24264 g/mol |
IUPAC Name | 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid |
SMILES String | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
InChI | InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) |
InChIKey | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of EDTA is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of EDTA molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying EDTA Molecule
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Chemical structure of EDTA
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of EDTA is available in chemical structure page of EDTA, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of EDTA
The molecular weight of EDTA is available in molecular weight page of EDTA, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of EDTA
The chemical formula of EDTA is given in chemical formula page of EDTA, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of EDTA
An alternative way of expressing structural information in text format is InChI. The full standard InChI of EDTA is:
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
It can provide a standard way to encode the molecular information of EDTA to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of EDTA is:
InChIKey=KCXVZYZYPLLWCC-UHFFFAOYSA-N
The InChIKey may allow easier web searches for EDTA, but it needs to be linked to the full InChI to get back to the original structure of the EDTA since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of EDTA
The EDTA compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of EDTA including the registry numbers are listed below, if available:
- 62-33-9
- Ethylenediaminetetraacetic acid, anhydrous, free-flowing, powder, Redi-Dri(TM), ACS reagent, 99.4-100.6%
- Ethylenediaminetetraacetic acid, anhydrous, crystalline, BioReagent, suitable for cell culture
- Ethylenediaminetetraacetic acid solution, BioUltra, for molecular biology, pH 8.0, ~0.5 M in H2O
- Ethylenediaminetetraacetic acid solution, 0.02% in DPBS (0.5 mM), sterile-filtered, BioReagent, suitable for cell culture
- 94108-75-5
- 675141-16-9
- 402925-67-1
- 32757-10-1
- 30485-90-6
- 30485-88-2
- 30485-87-1
- 26627-46-3
- 20539-27-9
- 161122-33-4
- 13440-78-3
- Ethylenediaminetetraacetic acid, anhydrous, free-flowing, Redi-Dri(TM), >=98%
- EDTA|Ethylenediaminetetraacetic acid|N,N'-1,2-Ethanediylbis[N-(carboxymethyl)]glycine
- 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
- {[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid(EDTA)
- Glycine, N,N'-1, {2-ethanediylbis[N-(carboxymethyl)-,} disodium salt
- Ethylenediaminetetraacetic acid, BioUltra, anhydrous, >=99% (titration)
- Ethylenediaminetetraacetic acid, 0.5M aqueous solution, pH 8.0, autoclaved
- 2,2'',2'''',2''''''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid
- Ethylenediaminetetraacetic acid, purified grade, >=98.5%, powder
- Ethylenediaminetetraacetic acid, ACS reagent, 99.4-100.6%, powder
- Edetic acid; EDTA; (Ethylenedinitrilo)tetraacetic acid; Edathamil
- Edetic acid, United States Pharmacopeia (USP) Reference Standard
- [{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]acetic acid
- Ethylenediaminetetraacetic acid, Vetec(TM) reagent grade, 98%
- Ethylenediaminetetraacetic acid, SAJ special grade, >=99.0%
- Ethylenediaminetetraacetic acid, 99.995% trace metals basis
- Ethylenediaminetetraacetic acid, 0.5M aq. solution, pH 8.0
- Ethylenediaminetetraacetic acid, BioUltra, >=99.0% (KT)
- 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate
- Z2688689169
- I14-19418
- Ethylenediaminetetraacetic acid, Electrophoresis Grade
- 37C3C5E7-D921-445F-82D6-FEBF1AE5AEF5
- SR-01000883946-1
- I04-0860
- Ethylenediaminetetraacetic acid, Cell Culture Reagent
- A832566
- 6381-92-6 (di-hydrochloride salt, di-hydrate)
- Ethylenediaminetetraacetic acid, >=98.0% (KT)
- Ethylenediaminetetraacetic acid solution, 0.02 N
- Ethylenediaminetetraacetic acid, p.a., 98.0%
- D00052
- (ethylenedinitrilo)tetraacetic acid, ion(4-)
- Ethylenediaminetetraacetic acid, LR, >=98%
- Ethylenediaminetetraacetic acid, 99% 500g
- Ethylenediaminetetraacetic acid, 2Na (EDTA)
- E0084
- B7197
- 76353-66-7 (calcium,hydrochloride salt)
- (ethane-1,2-diyldinitrilo)tetraacetic acid
- SBI-0051360.P003
- 688-55-1
- 17421-79-3 (mono-hydrochloride salt)
- 10058-42-1 (iron(3+) salt)
- CAS-60-00-4
- 53404-51-6 (mono-potassium salt)
- RTR-020771
- (ethane-1,2-diyldinitrilo)tetraacetate
- Glycine, (N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, labeled with carbon-14
- 139-33-3 (di-hydrochloride salt)
- BDBM50330325
- ANW-33408
- 2001-94-7 (di-potassium salt)
- 7379-28-4 (hydrochloride salt)
- 24669-13-4 (chromium salt)
- 7379-27-3 (potassium salt)
- ZX-AFC000762
- (Ethylenedintrilo)tetraacetic acid
- Ethylenedinitrilo-tetraacetic acid
- ethylene-diamine tetraacetic acid
- ethylene diamine tetraacetic acid
- Calcium Disodium Edetate (JAN)
- Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl))-
- 9G34HU7RV0
- ethylenediamine-tetraacetic acid
- BIDD:ER0565
- Ethylenediamineteraacetic Acid
- Diaminoethanetetra-acetic acid
- Diaminoethane-tetraacetic acid
- Edetic acid [BAN:INN]
- Edetic acid (NF/INN)
- Acroma DH 700
- Edetic Acid, Disodium, Magnesium Salt
- Disodium Ethylene Dinitrilotetraacetate
- Versene acid (TN)
- CaEDTA
- EDTA, free base
- EDTA, free acid
- Zonon AO
- H4edta
- Uni Wash
- Techrun DO
- {[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid
- ([2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino)-acetic acid
- (Ethylenedinitrilo)tetraacetic acid, disodium salt
- Ethylenebis(iminodiacetic acid)
- Ethylene Dinitrilotetraacetate
- Edetic acid [INN:BAN]
- ETHYLENEDIAMINETETRAACETIC ACID, ACS
- Magnesium Disodium EDTA
- Disodium Calcitetracemate
- Edetate calcium disodium (USP)
- Copper EDTA
- Gallium EDTA
- Distannous EDTA
- Calcium Tetacine
- 139-33-3
- Disodium dihydrogen(ethylenedinitrilo)tetraacetate
- Edetates
- Tetracemate
- Disodium dihydrogen ethylenediaminetetraacetate
- EDTA, ion(4-)
- EDTA, 500 mM Solution, pH 8.0, ULTROL® Grade
- Calcium disodium versenate (TN)
- Disodium (ethylenedinitrilo)tetraacetic acid
- D'E.d.t.a. disodique
- J-610078
- Disodium diacid ethylenediaminetetraacetate
- Ethylenediaminetetraacetate, disodium salt
- CBC 50152966
- SODIUM ETHYLENEDIAMINETETRAACETATE
- Disodium ethylenediaminetetraacetic acid
- Disodium (ethylenedinitrilo)tetraacetate
- Perma kleer 50 crystals disodium salt
- Disodium ethylenediaminetetraacetate
- 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid
- Selekton B2
- Trilon B
- Sequestrene Na2
- Ethylenediaminetetraacetic acid disodium salt
- MFCD00003541
- {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
- 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
- Perma Kleer Di Crystals
- Edetate calcium disodium
- Disodium salt of EDTA
- N,N'-1,2-Ethane diylbis-(N-(carboxymethyl)glycine)
- Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-
- N,N'-1,2-Ethanediylbis(N-(carboxymethyl)glycine)
- Acetic acid, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-
- Sequestrene sodium 2
- F 1 (complexon)
- EDTA disodium salt
- Disodium tetracemate
- Disodium sequestrene
- C10H16N2O8
- Versene Na2
- Trilon BD
- Edathamil disodium
- Disodium versenate
- Triplex III
- Versene NA
- Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-
- Chelaton III
- 3,6-Diazaoctanedioic acid, 3,6-bis(carboxymethyl)-
- Titriplex III
- Complexon III
- Chelaplex III
- Kiresuto B
- Metaquest B
- Acide ethylenediaminetetracetique [French]
- Kyselina ethylendiamintetraoctova [Czech]
- Ethylenediaminetetraacetate
- Edetic acid disodium salt
- Sodium versenate
- Kyselina ethylendiamintetraoctova
- Endrate disodium
- Disodium versene
- Disodium edetate
- Edta disodium
- Edetate calcium
- ETHYLENEDIAMINE TETRAACETIC ACID
- EPA Pesticide Chemical Code 039101
- Calcium disodium edetate
- Acetic acid, (ethylenedinitrilo)tetra-
- Ethylenediamine-N,N,N',N'-tetraacetic acid
- Acide ethylenediaminetetracetique
- Edetate
- Disodium EDTA
- Diso-Tate
- Acidum edeticum [INN-Latin]
- Acido edetico [INN-Spanish]
- Acide edetique [INN-French]
- Edetate disodium
- YD 30
- Ethylenebisiminodiacetic acid
- SEQ 100
- ICRF 185
- Chelaton 3
- Caswell No. 438
- Acido edetico
- Acide edetique
- Acidum edeticum
- Ethylenedinitrilotetraacetic acid
- Cheladrate
- EDTA (chelating agent)
- (Ethylenedinitrilo)tetraacetic acid
- Clewat TAA
- Nervanaid B acid
- Perma kleer 50 acid
- Nullapon bf acid
- Nullapon B acid
- Dissolvine E
- Vinkeil 100
- Calcium disodium versenate
- Universne acid
- Versenate
- Chemcolox 340
- Celon ATH
- Questex 4H
- Chelest 3A
- Celon A
- Trilon BS
- Cheelox BF acid
- Titriplex II
- Hamp-ene acid
- Complexon II
- Trilon bw
- Metaquest A
- Versene acid
- Tetrine acid
- Quastal Special
- Komplexon ii
- Sequestrene aa
- Gluma cleanser
- Warkeelate acid
- Sequestric acid
- Cheelox
- Sequestrol
- EDTA acid
- Versene
- Titriplex
- Havidote
- Endrate
- Edathamil
- 60-00-4
- Edetic acid
- Ethylenediaminetetraacetic acid
- EDTA
- Stannous EDTA
- Chromium EDTA
- Potassium EDTA
EDTA Identification Summary Frequently Asked Questions (FAQs)
What’s the EDTA formula? |
---|
C10H16N2O8 |
How many atoms and what elements are included in the EDTA molecule? |
36 atom(s) - 16 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), and 8 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the EDTA structure? |
35 bond(s) - 19 non-H bond(s), 4 multiple bond(s), 11 rotatable bond(s), 4 double bond(s), 4 carboxylic acid(s) (aliphatic), 2 tertiary amine(s) (aliphatic), and 4 hydroxyl group(s) |
What’s the EDTA’s molar mass? |
292.24264 g/mol |
What’s the SMILES structure of EDTA? |
OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
What’s the InChI code of EDTA? |
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) |
What’s the InChIKey format of EDTA? |
KCXVZYZYPLLWCC-UHFFFAOYSA-N |
1631
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).