(5Z,9β,11Alpha,15S)-11,15-Dihydroxy-6,9-Epoxyprost-5-En-13-Yn-1-Oic Acid

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Properties Simple | Detailed

Formula C20H30O5
IUPAC Name (5z)-5-[(3ar,4s,5r,6ar)-5-hydroxy-4-[(3s)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Molecular Mass 350.449 g·mol−1
Heat of Formation -801.2 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 458.13 Å 3
Surface Area 420.97 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-[(3ar,4s,5r,6ar)-5-hydroxy-4-[(3s)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid
  • (5z)-5-[(3ar,4s,5r,6ar)-5-hydroxy-4-[(3s)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]valeric acid
  • 13,14-dehydro pgi2
  • 13,14-dehydro pgx
  • 13,14-dehydro-pgi2
  • 13,14-dehydroprostaglandin i2
  • 13,14-dehydroprostaglandin x
  • prost-5-en-13-yn-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, monosodium salt, (5z,9alpha,11alpha,15s)-
CAS Number(s)
  • 74853-73-9
InChIKey TTXYATZQSSMBRM-OAOZXFSVSA-N
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