4-{(2S,3S)-3-[(1E,3E,5E,7E,9S)-9-Hydroxy-1,3,5,7-Tetradecatetraen-1-Yl]-2-Oxiranyl}Butanoic Acid

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Properties Simple | Detailed

Formula C20H30O4
IUPAC Name 4-[(2s,3s)-3-[(1e,3e,5e,7e,9s)-9-hydroxytetradeca-1,3,5,7-tetraenyl]oxiran-2-yl]butanoic acid
Molecular Mass 334.450 g·mol−1
Heat of Formation -595.8 ± 16.7 kJ·mol−1
Dipole Moment 0.95 ± 1.08 D
Volume 457.93 Å 3
Surface Area 431.38 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 15-hydroxy-5,6-oxido-7,9,11,13-eicosatetraenoic acid
  • 15-hydroxy-5,6-oxido-7,9,13,11-eicosatetraenoic acid
  • 4-[(2s,3s)-3-[(1e,3e,5e,7e,9s)-9-hydroxytetradeca-1,3,5,7-tetraenyl]-2-oxiranyl]butanoic acid
  • 4-[(2s,3s)-3-[(1e,3e,5e,7e,9s)-9-hydroxytetradeca-1,3,5,7-tetraenyl]oxiran-2-yl]butanoic acid
  • 4-[(2s,3s)-3-[(1e,3e,5e,7e,9s)-9-hydroxytetradeca-1,3,5,7-tetraenyl]oxiran-2-yl]butyric acid
  • 5(6)-expoxytetraene
  • 5,6-epoxy-15-hydroxy-7,9,11,13-eicosatetraenoic acid
  • eh-hete
  • ho-7,9,11,13-eta
  • oxiranebutanoic acid, 3-(9-hydroxy-1,3,5,7-tetradecatetraenyl)-, (2s-(2alpha,3beta(1e,3e,5z,7e,9r*)))-
CAS Number(s)
  • 94235-42-4
InChIKey YNHSGCYEQVDEOY-COBRGRBVSA-N
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