(5Z,9A,11A,13E,15S)-9,11-Epoxy-15-Hydroxythromboxa-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C20H32O5
IUPAC Name (z)-7-[(1s,3r,4s,5s)-3-[(e,3s)-3-hydroxyoct-1-enyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
Molecular Mass 352.465 g·mol−1
Heat of Formation -925.6 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 458.79 Å 3
Surface Area 349.91 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (5z,13e)-(15s)-9alpha,11alpha-epoxy-15-hydroxythromboxa-5,13-dienoate
  • (5z,13e,15s)-9alpha,11alpha-epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid
  • (5z,9alpha,11alpha,13e,15s)-9,11-epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid
  • (5z,9alpha,11alpha,13e,15s)-9,11-epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid, [1s-[1alpha,3alpha-(1e,3r*)4beta(z),5alpha]]-7-[3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo[3.1.1]hept-4-yl]-5-heptenoic a
  • (z)-7-[(1s,2s,3r,5s)-3-[(e,3s)-3-hydroxyoct-1-enyl]-4,7-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
  • 2,6-dioxabicyclo[3.1.1]heptane, thromboxa-5,13-dien-1-oic acid deriv.
  • 5-heptenoic acid, 7-(3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo(3.1.1)hept-4-yl)-, (1s-(1alpha,3alpha,3r*),4beta(z),5alpha)-
  • 5-heptenoic acid, 7-[(1s,3r,4s,5s)-3-[(1e,3s)-3-hydroxy-1-octenyl]-2,6-dioxabicyclo[3.1.1]hept-4-yl]-, (5z)-
  • 5-heptenoic acid, 7-[3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo[3.1.1]hept-4-yl]-, [1s-[1alpha,3alpha(1e,3r*),4beta(z),5alpha]]-
  • 9s,11s-epoxy,15s-hydroxy-thromboxa-5z,13e-dien-1-oic acid
  • cmc_9718
  • lmfa03030001
  • rabbit aorta contracting substance
  • rcs
  • thromboxa-5,13-dien-1-oic acid, 9,11-epoxy-15-hydroxy-, (5z,9alpha,11alpha,13e,15s)-
  • thromboxane a2
  • txa-2
  • txa2
CAS Number(s)
  • 57576-52-0
InChIKey DSNBHJFQCNUKMA-SCKDECHMSA-N
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