(5E,7E,9E)-10-{(2S,3S)-3-[(2E)-2-Octen-1-Yl]-2-Oxiranyl}-5,7,9-Decatrienoic Acid

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Formula C20H30O3
IUPAC Name (5e,7e,9e)-10-[(2s,3s)-3-[(e)-oct-2-enyl]oxiran-2-yl]deca-5,7,9-trienoic acid
Molecular Mass 318.450 g·mol−1
Heat of Formation -432.5 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 453.06 Å 3
Surface Area 378.22 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (5e,7e,9e)-10-[(2s,3s)-3-[(e)-oct-2-enyl]-2-oxiranyl]deca-5,7,9-trienoic acid
  • (5e,7e,9e)-10-[(2s,3s)-3-[(e)-oct-2-enyl]oxiran-2-yl]deca-5,7,9-trienoic acid
  • 11,12-leukotriene a4
  • 11,12-oxido-5,7,9,14-eicosatetraenoic acid
CAS Number(s)
  • 95722-34-2
InChIKey VFTVUGKTWCHJEC-OZOOMDLWSA-N
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