(5Z,9α,13E,15S,17Z)-9,15-Dihydroxy-11-Oxothromboxa-5,13,17-Trien-1-Oic Acid

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Properties Simple | Detailed

Formula C20H30O6
IUPAC Name (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-6-oxo-tetrahydropyran-3-yl]hept-5-enoic acid
Molecular Mass 366.449 g·mol−1
Heat of Formation -1133.9 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 468.49 Å 3
Surface Area 349.57 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-6-keto-tetrahydropyran-3-yl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-6-oxo-3-tetrahydropyranyl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-6-oxo-oxan-3-yl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-6-oxo-tetrahydropyran-3-yl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-6-oxooxan-3-yl]hept-5-enoic acid
  • 11-dehydro-txb3
  • 9s,15s-dihydroxy-11-oxo-thromboxa-5z,13e,17z-trienoic acid
  • lmfa03030009
InChIKey OAHMLWQISGEXBB-XMEKLSCHSA-N
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