9-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-Hydroxy-4-Oxo-1-Octen-1-Yl]Cyclopentyl}Nonanoic Acid

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Properties Simple | Detailed

Formula C22H38O6
IUPAC Name 9-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3s)-3-hydroxy-4-oxo-oct-1-enyl]cyclopentyl]nonanoic acid
Molecular Mass 398.534 g·mol−1
Heat of Formation -1372.8 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 535.13 Å 3
Surface Area 462.97 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-dihomo-8-keto-pgf1alpha
  • 1,1-dihomo-8-ketoprostaglandin f1alpha
  • 1alpha,1beta-dihomo-8-oxoprostaglandin f1alpha
  • 9-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3s)-3-hydroxy-4-keto-oct-1-enyl]cyclopentyl]pelargonic acid
  • 9-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3s)-3-hydroxy-4-oxo-oct-1-enyl]cyclopentyl]nonanoic acid
  • 9-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3s)-3-hydroxy-4-oxooct-1-enyl]cyclopentyl]nonanoic acid
  • prost-6-ene-20-carboxylic acid, 5,9,11-trihydroxy-1-methyl-4-oxo-, (5s,6e,9beta,11beta)-
CAS Number(s)
  • 71310-81-1
InChIKey UXNNRPQQYVIVOT-MHRRTSLBSA-N
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