(8β,11Alpha,15R)-16,16-Difluoro-15-Hydroxy-9-Oxo-11,15-Epoxyprostan-1-Oic Acid

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Formula C20H32F2O5
IUPAC Name 7-[(2r,4ar,5s,7ar)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid
Molecular Mass 390.462 g·mol−1
Heat of Formation -1616.1 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 482.13 Å 3
Surface Area 424.9 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy 3.57 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(2r,4ar,5s,7ar)-2-(1,1-difluoropentyl)-2-hydroxy-6-keto-3,4,4a,5,7,7a-hexahydrocyclopenta[e]pyran-5-yl]enanthic acid
  • 7-[(2r,4ar,5s,7ar)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[e]pyran-5-yl]heptanoic acid
  • d04790
  • lubiprostone
  • lubiprostone (usan)
  • ru-0211
CAS Number(s)
  • 136790-76-6
InChIKey WGFOBBZOWHGYQH-DKYLXPRQSA-N
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