(5E)-7-{(1R,2R,5S)-5-Hydroxy-2-[(1E,3S)-3-Hydroxy-1-Buten-1-Yl]-3-Oxocyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C16H24O5
IUPAC Name (e)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxybut-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid
Molecular Mass 296.359 g·mol−1
Heat of Formation -973.4 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 379.42 Å 3
Surface Area 324.77 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxybut-1-enyl]-3-keto-cyclopentyl]hept-5-enoic acid
  • (e)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxybut-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid
  • (e)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxybut-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
  • 11-ketotetranor pgf2alpha
  • 11-ketotetranor-pgf2alpha
  • 11-ketotetranorprostaglandin f2alpha
  • 11-kt-pgf2a
  • 5-heptenoic acid, 7-(5-hydroxy-2-(3-hydroxy-1-butenyl)-3-oxocyclopentyl)-, (1r-(1alpha(z),2beta(1e,3s*),5alpha))-
  • 5-hetenoic acid, 7-(5-hydroxy-2-(3-hydroxy-1-butenyl)-3-oxocyclopentyl)-, (1r-(1alpha(z),2beta(1e,3s*),5alpha))-
CAS Number(s)
  • 99570-16-8
InChIKey JWBZMWSQFATLHH-GNVDEPTDSA-N
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