(5E,9α,13E,15S)-9,15-Dihydroxy-11-Oxoprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C20H32O5
IUPAC Name (e)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid
Molecular Mass 352.465 g·mol−1
Heat of Formation -1062.8 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 469.31 Å 3
Surface Area 354.03 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-keto-cyclopentyl]hept-5-enoic acid
  • (e)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid
  • (e)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
  • 7-[(1r,2r,5s)-5-hydroxy-2-[(3s)-3-hydroxyoct-1-enyl]-3-keto-cyclopentyl]hept-5-enoic acid
  • 7-[(1r,2r,5s)-5-hydroxy-2-[(3s)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid
  • 7-[(1r,2r,5s)-5-hydroxy-2-[(3s)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
  • bio1_000227
  • bio1_000716
  • bio1_001205
  • bio2_000206
  • bio2_000686
InChIKey BHMBVRSPMRCCGG-IAVHXZOJSA-N
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