Basic information
- CAS
1852-58-0- Standard SMILES
C[C@]12CC[C@H]3[C@@H](C[C@@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O- InChIKey
GGQPTOITOZXLBE-ZVBLRVHNSA-N- Molecular formula
- C19H27FO2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.19950826
Names & identifiers
- Preferred name
- 6Beta-fluoro-17beta-hydroxyandrost-4-en-3-one
- IUPAC
- (6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
1852-58-0NSC29185A-fluoro-176Beta-fluoro-17beta-hydroxyandrost-4-en-3-oneA-hydroxyandrost-4-en-3-oneCHEMBL485684DTXSID40283032NSC 29185NSC-29185
Database identifiers
- CAS
1852-58-0- PubChem CID
- 232137
- DTXSID
DTXSID40283032- ChEMBL
CHEMBL485684- Nikkaji
- J680.416K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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