(5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3R)-3-Hydroxy-1-Octen-1-Yl]-6-Oxotetrahydro-2H-Pyran-3-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C20H32O6
IUPAC Name (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3r)-3-hydroxyoct-1-enyl]-6-oxo-tetrahydropyran-3-yl]hept-5-enoic acid
Molecular Mass 368.464 g·mol−1
Heat of Formation -1225.4 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 476.43 Å 3
Surface Area 375.38 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3r)-3-hydroxyoct-1-enyl]-6-keto-tetrahydropyran-3-yl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3r)-3-hydroxyoct-1-enyl]-6-oxo-3-tetrahydropyranyl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3r)-3-hydroxyoct-1-enyl]-6-oxo-oxan-3-yl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3r)-3-hydroxyoct-1-enyl]-6-oxo-tetrahydropyran-3-yl]hept-5-enoic acid
  • (z)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3r)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid
  • 11-dehydro-txb2
  • 11-dehydrothromboxane b2
  • 11-keto-thromboxane b2
  • 5-heptenoic acid, 7-((2r,3s,4s)-tetrahydro-4-hydroxy-2-((1e,3s)-3-hydroxy-1-octenyl)-6-oxo-2h-pyran-3-yl)-, (5z)-
  • thromboxa-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5z,9alpha,13e,15s)-
CAS Number(s)
  • 67910-12-7
InChIKey KJYIVXDPWBUJBQ-SLQLHLDPSA-N
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