(5E,8Z,10Z,12R,13R,14Z,17Z)-12,13-Dihydroxy-5,8,10,14,17-Icosapentaenoic Acid

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Formula C20H30O4
IUPAC Name (5e,8z,10z,12r,13r,14z,17z)-12,13-dihydroxyicosa-5,8,10,14,17-pentaenoic acid
Molecular Mass 334.450 g·mol−1
Heat of Formation -689.5 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 451.84 Å 3
Surface Area 339.29 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 12,13-depa
  • 12,13-dihydroxy-(5z,8z,10e,14z,17z)-eicosapentaenoic acid
  • 12,13-dihydroxyeicosa-5,8,10,14,17-pentaenoic acid
  • 12,13-dihydroxyicosa-5,8,10,14,17-pentaenoic acid
  • 12r,13s-dihepe
  • 5,8,10,14,17-eicosapentaenoic acid, 12,13-dihydroxy-, (r-(r*,r*-(e,z,z,z,z)))-
CAS Number(s)
  • 121979-38-2
InChIKey XJVATZRQYYFGGW-FSCDWANNSA-N
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