Thromboxa-5,13-Dien-1-Oic Acid, 9,15-Dihydroxy-11-Oxo-, (5Z,9α,13E,15S)-

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Properties Simple | Detailed

Formula C20H32O6
IUPAC Name (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-6-oxo-tetrahydropyran-3-yl]hept-5-enoic acid
Molecular Mass 368.464 g·mol−1
Heat of Formation -1239.7 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 474.52 Å 3
Surface Area 357.84 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (5z,13e,15s)-9alpha,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-6-keto-tetrahydropyran-3-yl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-6-oxo-3-tetrahydropyranyl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-6-oxo-oxan-3-yl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-6-oxo-tetrahydropyran-3-yl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid
  • 11-dehydro-thromboxane b2
  • 9s,15s-dihydroxy-11-oxo-thromboxa-5z,13e-dien-1-oic acid
  • lmfa03030004
InChIKey KJYIVXDPWBUJBQ-UHHGALCXSA-N
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