(5S,6E,8Z,10E,12E)-5-Hydroxy-13-[(2S,3S)-3-Pentyl-2-Oxiranyl]-6,8,10,12-Tridecatetraenoic Acid

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Properties Simple | Detailed

Formula C20H30O4
IUPAC Name (5s,6e,8z,10e,12e)-5-hydroxy-13-[(2s,3s)-3-pentyloxiran-2-yl]trideca-6,8,10,12-tetraenoic acid
Molecular Mass 334.450 g·mol−1
Heat of Formation -592.8 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 451.67 Å 3
Surface Area 435.51 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6e,8z,10e,12e)-13-[(2s,3s)-3-amyloxiran-2-yl]-5-hydroxy-trideca-6,8,10,12-tetraenoic acid
  • (5s,6e,8z,10e,12e)-5-hydroxy-13-[(2s,3s)-3-pentyl-2-oxiranyl]trideca-6,8,10,12-tetraenoic acid
  • (5s,6e,8z,10e,12e)-5-hydroxy-13-[(2s,3s)-3-pentyloxiran-2-yl]trideca-6,8,10,12-tetraenoic acid
  • 14(15)-epoxytetraene
  • 5-hydroxy-14,15-oxido-6,10,12,8-eicosatetraenoic acid
  • 5-hydroxy-14,15-oxido-6,8,10,12-eicosatetraenoic acid
CAS Number(s)
  • 114144-28-4
InChIKey OJGVQCWEMKCHQR-ZPODFEQKSA-N
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