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

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Properties Simple | Detailed

Formula C20H32O6
IUPAC Name (z)-7-[(1r,2r,3r)-2-[(e,3s)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoic acid
Molecular Mass 368.464 g·mol−1
Heat of Formation -982.9 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 480.95 Å 3
Surface Area 369.62 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r)-2-[(e,3s)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-keto-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-2-[(e,3s)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-2-[(e,3s)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
  • 15-hydroperoxy-pge2
  • 15-hydroperoxyprostaglandin e2
  • prosta-5,13-dien-1-oic acid, 15-hydroperoxy-11-hydroxy-9-oxo-, (5z,11alpha,13e,15s)-
CAS Number(s)
  • 65380-05-4
InChIKey RGQICUMNQVAHES-ARSRFYASSA-N
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