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

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Formula C20H30O3
IUPAC Name (5z,8z,10e,12e)-13-[(2r,3r)-3-pentyloxiran-2-yl]trideca-5,8,10,12-tetraenoic acid
Molecular Mass 318.450 g·mol−1
Heat of Formation -442.4 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 441.46 Å 3
Surface Area 350.47 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (5z,8z,10e,12e)-13-[(2r,3r)-3-amyloxiran-2-yl]trideca-5,8,10,12-tetraenoic acid
  • (5z,8z,10e,12e)-13-[(2r,3r)-3-pentyl-2-oxiranyl]trideca-5,8,10,12-tetraenoic acid
  • (5z,8z,10e,12e)-13-[(2r,3r)-3-pentyloxiran-2-yl]trideca-5,8,10,12-tetraenoic acid
  • 13-(3-pentyloxiranyl)-5,8,10,12-tridecatetraenoic acid (2alpha(5z,8z,10e,12e),3beta)-
  • 14,15-leukotriene a4
  • 14,15-oxido-5,8,10,12-eicosatetraenoic acid
  • 5,8,10,12-tridecatetraenoic acid, 13-(3-pentyloxiranyl)-, (2alpha(5z,8z,10e,12e),3beta)-
CAS Number(s)
  • 81918-96-9
InChIKey URDQSJSEGRMOIT-AFTOVYEKSA-N
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