SDF/Mol File of Fmoc-NH-PEG10-CH2CH2COOH (C38H57NO14)
Identification of Fmoc-NH-PEG10-CH2CH2COOH Chemical Compound
| Chemical Formula | C38H57NO14 |
|---|---|
| Molecular Weight | 751.85748 g/mol |
| IUPAC Name | 1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3,6,9,12,15,18,21,24,27,30-decaoxatritriacontan-33-oic acid |
| SMILES String | OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC2c1ccccc1c3ccccc23 |
| InChI | InChI=1S/C38H57NO14/c40-37(41)9-11-43-13-15-45-17-19-47-21-23-49-25-27-51-29-30-52-28-26-50-24-22-48-20-18-46-16-14-44-12-10-39-38(42)53-31-36-34-7-3-1-5-32(34)33-6-2-4-8-35(33)36/h1-8,36H,9-31H2,(H,39,42)(H,40,41) |
| InChIKey | NAILXQLIMFAMGQ-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Fmoc-NH-PEG10-CH2CH2COOH 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 Fmoc-NH-PEG10-CH2CH2COOH 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 Fmoc-NH-PEG10-CH2CH2COOH Molecule
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Chemical structure of Fmoc-NH-PEG10-CH2CH2COOH
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Fmoc-NH-PEG10-CH2CH2COOH is available in chemical structure page of Fmoc-NH-PEG10-CH2CH2COOH, 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 Fmoc-NH-PEG10-CH2CH2COOH
The molecular weight of Fmoc-NH-PEG10-CH2CH2COOH is available in molecular weight page of Fmoc-NH-PEG10-CH2CH2COOH, 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 Fmoc-NH-PEG10-CH2CH2COOH
The chemical formula of Fmoc-NH-PEG10-CH2CH2COOH is given in chemical formula page of Fmoc-NH-PEG10-CH2CH2COOH, 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 Fmoc-NH-PEG10-CH2CH2COOH
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Fmoc-NH-PEG10-CH2CH2COOH is:
InChI=1S/C38H57NO14/c40-37(41)9-11-43-13-15-45-17-19-47-21-23-49-25-27-51-29-30-52-28-26-50-24-22-48-20-18-46-16-14-44-12-10-39-38(42)53-31-36-34-7-3-1-5-32(34)33-6-2-4-8-35(33)36/h1-8,36H,9-31H2,(H,39,42)(H,40,41)
It can provide a standard way to encode the molecular information of Fmoc-NH-PEG10-CH2CH2COOH 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 Fmoc-NH-PEG10-CH2CH2COOH is:
InChIKey=NAILXQLIMFAMGQ-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Fmoc-NH-PEG10-CH2CH2COOH, but it needs to be linked to the full InChI to get back to the original structure of the Fmoc-NH-PEG10-CH2CH2COOH since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Fmoc-NH-PEG10-CH2CH2COOH
The Fmoc-NH-PEG10-CH2CH2COOH compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Fmoc-NH-PEG10-CH2CH2COOH including the registry numbers are listed below, if available:
- Fmoc-NH-(PEF)10-CH2CH2COOH
- Fmoc-N-amido-PEG10-Acid
- Fmoc-PEG10-propionic acid
- Fmoc-NH-PEG10-CH2CH2COOH
Fmoc-NH-PEG10-CH2CH2COOH Identification Summary Frequently Asked Questions (FAQs)
| What’s the Fmoc-NH-PEG10-CH2CH2COOH formula? |
|---|
| C38H57NO14 |
| How many atoms and what elements are included in the Fmoc-NH-PEG10-CH2CH2COOH molecule? |
| 110 atom(s) - 57 Hydrogen atom(s), 38 Carbon atom(s), 1 Nitrogen atom(s), and 14 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the Fmoc-NH-PEG10-CH2CH2COOH structure? |
| 112 bond(s) - 55 non-H bond(s), 14 multiple bond(s), 36 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 10 ether(s) (aliphatic) |
| What’s the Fmoc-NH-PEG10-CH2CH2COOH’s molar mass? |
| 751.85748 g/mol |
| What’s the SMILES structure of Fmoc-NH-PEG10-CH2CH2COOH? |
| OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC2c1ccccc1c3ccccc23 |
| What’s the InChI code of Fmoc-NH-PEG10-CH2CH2COOH? |
| InChI=1S/C38H57NO14/c40-37(41)9-11-43-13-15-45-17-19-47-21-23-49-25-27-51-29-30-52-28-26-50-24-22-48-20-18-46-16-14-44-12-10-39-38(42)53-31-36-34-7-3-1-5-32(34)33-6-2-4-8-35(33)36/h1-8,36H,9-31H2,(H,39,42)(H,40,41) |
| What’s the InChIKey format of Fmoc-NH-PEG10-CH2CH2COOH? |
| NAILXQLIMFAMGQ-UHFFFAOYSA-N |
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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).