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

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Properties Simple | Detailed

Formula C20H32F2O5
IUPAC Name 7-[(2r,4ar,5r,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 -1625.0 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 483.45 Å 3
Surface Area 425.97 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-7-((2r,4ar,5r,7ar)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxooctahydrocyclopenta (b)pyran-5-yl)heptanoic acid
  • 7-[(2r,4ar,5r,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,5r,7ar)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[e]pyran-5-yl]heptanoic acid
  • amitiza
  • prostan-1-oic acid, 16,16-difluoro-11-hydroxy-9,15-dioxo-, (11alpha)-
InChIKey WGFOBBZOWHGYQH-MXHNKVEKSA-N
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