6-Fluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate
Basic information
- CAS
23257-44-5- Standard SMILES
CCCCC(=O)O[C@]1(C(=O)CO)CCC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC21C- InChIKey
JXWVQHSDWAODPY-ZHKXNFPGSA-N- Molecular formula
- C26H35FO6
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.24176699
Names & identifiers
- Preferred name
- 6-Fluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate
- IUPAC
- [(17R)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate
Names & synonyms
DTXSID609459486-Fluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate(8xi,9xi,10xi,13xi,14xi)-6-Fluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate
Database identifiers
- CAS
23257-44-5- PubChem CID
- 31779
- DTXSID
DTXSID60945948
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 910
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Compound notes
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