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

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Properties Simple | Detailed

Formula C20H30O5
IUPAC Name (z)-7-[(1s,3r,4s,5s)-3-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
Molecular Mass 350.449 g·mol−1
Heat of Formation -821.1 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 458.76 Å 3
Surface Area 347.57 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1s,2s,3r,5s)-3-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-4,7-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
  • 9s,11s-epoxy,15s-hydroxy-thromboxa-5z,13e,17z-trien-1-oic acid
  • lmfa03030005
InChIKey NMZKLLJQNNTBRJ-OIXZZONUSA-N
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