Paramethasone monophosphate
Basic information
- CAS
16562-18-8- Standard SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O- InChIKey
FXYRKQDIQLDRES-AFYJWTTESA-N- Molecular formula
- C22H30FO8P
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 472.16623307
Names & identifiers
- Preferred name
- Paramethasone monophosphate
- IUPAC
- [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
Names & synonyms
16562-18-8Paramethasone monophosphateDTXSID309371136-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate6alpha-Fluoro-11beta,17-dihydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphatePregna-1,4-diene-3,20-dione, 6a-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogenphosphate)
Database identifiers
- CAS
16562-18-8- PubChem CID
- 186017
- DTXSID
DTXSID30937113
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 958
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Related reactions
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Compound notes
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