(5Z)-7-{(1R,3R,4S,5R)-3-[(1E,3S)-3-Hydroperoxy-1-Octen-1-Yl]-2,6-Dioxabicyclo[3.1.1]Hept-4-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C20H32O6
IUPAC Name (z)-7-[(1r,2s,3r,5r)-3-[(e,3s)-3-hydroperoxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 368.464 g·mol−1
Heat of Formation -832.0 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 475.86 Å 3
Surface Area 365.08 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2s,3r,5r)-3-[(e,3s)-3-hydroperoxyoct-1-enyl]-4,7-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
  • 15-hydroperoxythromboxane a2
  • thromboxa-5,13-dien-1-oic acid, 9,11-epoxy-15-hydroperoxy-, (5z,9alpha,11alpha,13e,15s)-
CAS Number(s)
  • 73151-69-6
InChIKey HOKLGACTDPUACN-YDQDXGRRSA-N
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