(5R,6E,8Z,10E,12R)-5,12-Dihydroxy-12-Methyl-6,8,10-Icosatrienoic Acid

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Properties Simple | Detailed

Formula C21H36O4
IUPAC Name (5r,6e,8z,10e,12r)-5,12-dihydroxy-12-methyl-icosa-6,8,10-trienoic acid
Molecular Mass 352.508 g·mol−1
Heat of Formation -905.4 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 496.62 Å 3
Surface Area 409.95 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6e,8z,10e,12r)-5,12-dihydroxy-12-methyl-icosa-6,8,10-trienoic acid
  • (5r,6e,8z,10e,12r)-5,12-dihydroxy-12-methylicosa-6,8,10-trienoic acid
  • 12-me-ltb3
  • 12-methylleukotriene b3
CAS Number(s)
  • 148504-32-9
InChIKey QGNHHEMELCDLOF-SPBBVZBHSA-N
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