(5Z,9α,11α,13E,15S)-11,15-Dihydroxy-7-Oxo-6,9-Epoxyprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C20H30O6
IUPAC Name (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3ah-cyclopenta[b]furan-2-ylidene]pentanoic acid
Molecular Mass 366.449 g·mol−1
Heat of Formation -1168.4 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 468.94 Å 3
Surface Area 416.42 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3-keto-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]furan-2-ylidene]valeric acid
  • (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]furan-2-ylidene]pentanoic acid
  • 7-ketoprostaglandin i(2)
  • 7-oxo-pgi2-na
  • 7-oxoprostacyclin
  • 7-oxoprostaglandin i2
  • prosta-5,13-dien-1-oic acid, 6,9-epoxy-11,15-dihydroxy-7-oxo-, (5z,9alpha,11alpha,13e,15s)-
CAS Number(s)
  • 79821-50-4
InChIKey ZHIHHYNLWRXTTN-GJUFTPBXSA-N
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