5-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-(3-Oxooctyl)Cyclopentyl]-4-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C18H30O6
IUPAC Name 5-[(1s,2s,3s,5r)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-4-oxo-pentanoic acid
Molecular Mass 342.427 g·mol−1
Heat of Formation -1357.9 ± 16.7 kJ·mol−1
Dipole Moment 0.80 ± 1.08 D
Volume 438.07 Å 3
Surface Area 395.39 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 3.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dddpgf1alpha
  • 2,3-dinor-6,15-diketo-13,14-dihydro-pgf1alpha
  • 2,3-dinor-6,15-diketo-13,14-dihydroprostaglandin f1alpha
  • 2,3-dinor-6,15-diketo-pgf1alpha
  • 2,3-dinor-6,15-dioxo-13,14-dihydro-pgf1alpha
  • 2,3-dinor-6,15-dioxo-13,14-dihydroprostaglandin f1alpha
  • 5-[(1s,2s,3s,5r)-3,5-dihydroxy-2-(3-ketooctyl)cyclopentyl]-4-keto-valeric acid
  • 5-[(1s,2s,3s,5r)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-4-oxo-pentanoic acid
  • cyclopentanepentanoic acid, 3,5-dihydroxy-gamma-oxo-2-(3-oxooctyl)-, (1s-(1alpha,2beta,3alpha,5alpha))-
CAS Number(s)
  • 68376-88-5
InChIKey FZTXIQMBHHBLDO-LUKYLMHMSA-N
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