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

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Properties Simple | Detailed

Formula C20H32O6
IUPAC Name (z)-7-[(1s,4r,5r,6r)-5-[(e,3s)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
Molecular Mass 368.464 g·mol−1
Heat of Formation -638.0 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 486.79 Å 3
Surface Area 400.3 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-7-{(1r,4s,5r,6r)-6-[(1e,3s)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
  • (5z,9s,11r,13e,15s)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oic acid
  • (z)-7-[(1s,2r,3r,4r)-3-[(e,3s)-3-hydroperoxyoct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
  • 9s,11r-epidioxy-15s-hydroperoxy-5z,13e-prostadienoic acid
  • lmfa03010009
  • pgg2
  • prosta-5,13-dien-1-oic acid, 9,11-epidioxy-15-hydroperoxy-, (5z,9alpha,11alpha,13e,15s)-
  • prostaglandin g2
CAS Number(s)
  • 51982-36-6
InChIKey SGUKUZOVHSFKPH-YNNPMVKQSA-N
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