Methyl (4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoate

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Properties Simple | Detailed

Formula C23H34O2
IUPAC Name methyl (4e,7e,10e,13e,16e,19e)-docosa-4,7,10,13,16,19-hexaenoate
Molecular Mass 342.515 g·mol−1
Heat of Formation -262.0 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 512.17 Å 3
Surface Area 373.74 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (4e,7e,10e,13e,16e,19e)-docosa-4,7,10,13,16,19-hexaenoic acid methyl ester
  • 4,7,10,13,16,19-docosahexaenoic acid, methyl ester
  • docosa-4,7,10,13,16,19-hexaenoic acid methyl ester
  • docosahexaenoic acid methyl ester
  • methyl (4e,7e,10e,13e,16e,19e)-docosa-4,7,10,13,16,19-hexaenoate
  • methyl docosa-4,7,10,13,16,19-hexaenoate
  • methyl docosahexaenoate
CAS Number(s)
  • 301-01-9
InChIKey VCDLWFYODNTQOT-DMGWNJAXSA-N
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