6-Fluoro-3,5-dihydroxypregnan-20-one
Basic information
- CAS
1868-98-0- Standard SMILES
CC(=O)C1CCC2C3CC(F)C4(O)CC(O)CCC4(C)C3CCC12C- InChIKey
BSKXCSHQVSHDCE-UHFFFAOYSA-N- Molecular formula
- C21H33FO3
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.24137307
Names & identifiers
- Preferred name
- 6-Fluoro-3,5-dihydroxypregnan-20-one
- IUPAC
- 1-(6-fluoro-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone
Names & synonyms
1868-98-06-fluoro-3,5-dihydroxypregnan-20-oneNSC48988DTXSID30940147NSC-48988
Database identifiers
- CAS
1868-98-0- PubChem CID
- 241528
- DTXSID
DTXSID30940147
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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