SDF/Mol File of Mitolactol (C6H12Br2O4)
Identification of Mitolactol Chemical Compound
Chemical Formula | C6H12Br2O4 |
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Molecular Weight | 307.96508 g/mol |
IUPAC Name | (2R,3S,4R,5S)-1,6-dibromohexane-2,3,4,5-tetrol |
SMILES String | OC(CBr)C(O)C(O)C(O)CBr |
InChI | InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4+,5+,6- |
InChIKey | VFKZTMPDYBFSTM-GUCUJZIJSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Mitolactol 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 Mitolactol 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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Mitolactol Molecule
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Chemical structure of Mitolactol
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Mitolactol is available in chemical structure page of Mitolactol, 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 Mitolactol
The molecular weight of Mitolactol is available in molecular weight page of Mitolactol, 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 Mitolactol
The chemical formula of Mitolactol is given in chemical formula page of Mitolactol, 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 Mitolactol
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Mitolactol is:
InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4+,5+,6-
It can provide a standard way to encode the molecular information of Mitolactol 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 Mitolactol is:
InChIKey=VFKZTMPDYBFSTM-GUCUJZIJSA-N
The InChIKey may allow easier web searches for Mitolactol, but it needs to be linked to the full InChI to get back to the original structure of the Mitolactol since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Mitolactol
The Mitolactol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Mitolactol including the registry numbers are listed below, if available:
- 54749-83-6
- 14942-40-6
- 1,6-Dibromo-1,6-dideoxy-D-galactitol;1,6-Dibromo-1,6-dideoxy-D-galactitol
- 1,6-dibromo-1,6-dideoxy-galactitol
- 1,6-dibromo-1,6-dodeoxygalactitol
- LJ2P1SIK8Y
- Mitolactolum
- Dibromogalactitol
- 1,6-Dibromo-1,6-dideoxydulcitol (VAN)
- Galactitol, 1,6-dibromo-1,6-dideoxy-
- 1,6-Dibromo-1,6-dideoxydulcitol
- 10318-26-0
- 1,6-Dibromo-1,6-dideoxy-D-galactitol
- 1,6-Dibromodideoxydulcitol
- Mitolactolum [INN-Latin]
- 1,6-Dibromodulcitol
- Mitolactol [INN]
- DBD (alcohol)
- Elobromol
- Dibromdulcitol
- Dibromdulcit
- DIBROMODULCITOL
- Mitolactol
Mitolactol Identification Summary Frequently Asked Questions (FAQs)
What’s the Mitolactol formula? |
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C6H12Br2O4 |
How many atoms and what elements are included in the Mitolactol molecule? |
24 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s), 4 Oxygen atom(s), and 2 Bromine atom(s) |
How many chemical bonds and what kind of bonds are in the Mitolactol structure? |
23 bond(s) - 11 non-H bond(s), 3 rotatable bond(s), 4 hydroxyl group(s), and 4 secondary alcohol(s) |
What’s the Mitolactol’s molar mass? |
307.96508 g/mol |
What’s the SMILES structure of Mitolactol? |
OC(CBr)C(O)C(O)C(O)CBr |
What’s the InChI code of Mitolactol? |
InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4+,5+,6- |
What’s the InChIKey format of Mitolactol? |
VFKZTMPDYBFSTM-GUCUJZIJSA-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).