(11β,16Alpha)-9-Fluoro-11,17-Dihydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-21-Yl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C22H30FO8P
IUPAC Name [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate
Molecular Mass 472.441 g·mol−1
Heat of Formation -1930.9 ± 16.7 kJ·mol−1
Dipole Moment 7.61 ± 1.08 D
Volume 515.95 Å 3
Surface Area 390.69 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
  • [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate
  • [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
  • [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] dihydrogen phosphate
  • betnelan phosphate
  • dexamethasone 21-(dihydrogen phosphate)
  • dexamethasone 21-orthophosphate
  • dexamethasone 21-phosphate
  • dexamethasone phosphate
  • dexamethasone-21-dihydrogen-phosphate
  • dexamethasone-21-phosphate
  • hexadrol phosphate
  • oradexon phosphate
  • pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-(dihydrogen phosphate)
  • wymesone
CAS Number(s)
  • 312-93-6
InChIKey VQODGRNSFPNSQE-CXSFZGCWSA-N
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