5-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]Cyclopentyl}-4-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C18H30O6
IUPAC Name 5-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxo-pentanoic acid
Molecular Mass 342.427 g·mol−1
Heat of Formation -1318.9 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 443.23 Å 3
Surface Area 355.95 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 3.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dinor, 6-keto-pgf1alpha
  • 2,3-dinor-6-keto-pgf1alpha
  • 2,3-dinor-6-ketoprostaglandin f1alpha
  • 2,3-dinor-6-oxo-pgf1alpha
  • 2,3-dinor-6-oxoprostaglandin f1alpha
  • 2,3-dkpgf1alpha
  • 5-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(3s)-3-hydroxyoct-1-enyl]cyclopentyl]-4-keto-valeric acid
  • 5-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(3s)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxo-pentanoic acid
  • 5-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(3s)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxopentanoic acid
  • 5-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]cyclopentyl]-4-keto-valeric acid
  • 5-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxo-pentanoic acid
  • 6-oxo-9s,11r,15s-trihydroxy-2,3-dinor-13e-prostaenoic acid
  • bio1_000279
  • bio1_000768
  • bio1_001257
  • cbiol_001993
  • cyclopentanepentanoic acid, 3,5-dihydroxy-2-((1e,3s)-3-hydroxy-1-octenyl)-gamma-oxo-, (1r,2r,3r,5s)-
  • cyclopentanepentanoic acid, 3,5-dihydroxy-2-(3-hydroxy-1-octenyl)-gamma-oxo-, (1r-(1alpha,2beta(1e,3s*),3alpha,5alpha))-
  • lmfa03010089
  • pgi2-m
CAS Number(s)
  • 64700-71-6
InChIKey DNKGWNLXBRCUCF-NLOSNHEGSA-N
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