Cholestane-3alpha,5-diol
Basic information
- CAS
3347-60-2- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CCC4(O)C[C@@H](O)CCC4(C)C3CCC12C- InChIKey
YGJKELZDRWFHOR-PNWCUIAUSA-N- Molecular formula
- C27H48O2
- Average molar mass
- 404.7 g/mol
- Monoisotopic mass
- 404.36543077
Names & identifiers
- Preferred name
- Cholestane-3alpha,5-diol
- IUPAC
- (3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
Names & synonyms
Cholestane-3,5-diolCholestane-3alpha,5-diolDTXSID70955098
Database identifiers
- CAS
3347-60-2- PubChem CID
- 18773
- DTXSID
DTXSID70955098
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 587
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Related reactions
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Compound notes
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