Basic information
- Standard SMILES
CC(CCC(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C- InChIKey
RUDATBOHQWOJDD-UHFFFAOYSA-M- Molecular formula
- C24H39O4-
- Average molar mass
- 391.6 g/mol
Names & identifiers
- Preferred name
- 5|A-Cholanic acid-3|A,7|A-diol
- IUPAC
- 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Names & synonyms
5|A-Cholanic acid-3|A,7|A-diol3|A,7|A-Dihydroxy-5|A-cholanic acid
Database identifiers
- PubChem CID
- 21989262
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- -1
- Complexity
- 600
Related reactions
2 records
Compound notes
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