(5Z)-7-{(1S,4R,5S,6R)-5-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-2-Oxabicyclo[2.2.1]Hept-6-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C21H34O4
IUPAC Name (z)-7-[(1s,4r,5s,6r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
Molecular Mass 350.492 g·mol−1
Heat of Formation -832.8 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 467.71 Å 3
Surface Area 369.82 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,4s,5r,6s)-6-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
  • 5-heptenoic acid, 7-((1s,4r,5s,6r)-5-((1e,3s)-3-hydroxy-1-octenyl)-2-oxabicyclo(2.2.1)hept-6-yl)-, (5z)-
  • 5-heptenoic acid, 7-(5-(3-hydroxy-1-octenyl)-2-oxabicyclo(2.2.1)hept-6-yl)-, (1s-(1alpha,4alpha,5alpha(1e,3r*),6beta(z)))-
  • 9,11-dideoxy-9alpha,11alpha-epoxymethanoprostaglandin- f2alpha
  • u 44069
  • u-44069
  • u44069
CAS Number(s)
  • 56985-32-1
InChIKey DJKDIKIDYDXHDD-IGUVKOCZSA-N
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