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

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Properties Simple | Detailed

Formula C20H32N2O3
IUPAC Name (z)-7-[(1r,4s,5r,6r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid
Molecular Mass 348.480 g·mol−1
Heat of Formation -447.2 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 467.08 Å 3
Surface Area 365.01 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (15s)-hydroxy-9alpha,11alpha-azoprosta-5z,13e-dienoic acid
  • (5z,9alpha,11alpha,13e,15s)-9,11-azo-15-hydroxyprosta-5,13-dienoic acid
  • (z)-7-[(1r,2r,3r,4s)-3-[(e,3s)-3-hydroxyoct-1-enyl]-5,6-diazabicyclo[2.2.1]hept-5-en-2-yl]hept-5-enoic acid
  • 15-hydroxy-9,11-azoprostanoid
  • 5-heptenoic acid, 7-(6-(3-hydroxy-1-octenyl)-2,3-diazabicyclo(2.2.1)hept-2-en-5-yl)-
  • 9,11-azo-pgh2
  • azo analog ii
CAS Number(s)
  • 67901-99-9
InChIKey XBVVXCYNLAIXKD-WTKFZEAQSA-N
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