Estr-5(10)-ene-3,17-diol
Basic information
- CAS
96744-97-7- Standard SMILES
CC12CCC3C4=C(CCC3C1CCC2O)CC(O)CC4- InChIKey
IBHQSODTBQCZDA-UHFFFAOYSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893013
Names & identifiers
- Preferred name
- Estr-5(10)-ene-3,17-diol
- IUPAC
- 13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
ESTR-5(10)-ENE-3,17-DIOL(3alpha,17alpha)-Estr-5(10)-ene-3,17-diol19-Nor-5-androstene-3Beta,17Beta-diol (1.0mg/ml in Acetonitrile)DTXSID2091433213-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Database identifiers
- CAS
96744-97-7- PubChem CID
- 57138
- DTXSID
DTXSID20914332
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…