(2S)-3-[(1Z,3Z,5Z,7Z,9Z)-1,3,5,7,9-Dodecapentaen-1-Yloxy]-1,2-Propanediyl Diacetate

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Properties Simple | Detailed

Formula C19H26O5
IUPAC Name [(2s)-2-acetoxy-3-[(1z,3z,5z,7z,9z)-dodeca-1,3,5,7,9-pentaenoxy]propyl] acetate
Molecular Mass 334.407 g·mol−1
Heat of Formation -724.2 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 432.72 Å 3
Surface Area 395.09 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-propanediol, 3-(1,3,5,7,9-dodecapentaenyloxy)-, diacetate, (s-(all-e))-
  • [(1s)-1-(acetoxymethyl)-2-[(1z,3z,5z,7z,9z)-dodeca-1,3,5,7,9-pentaenoxy]ethyl] acetate
  • [(2s)-1-acetyloxy-3-[(1z,3z,5z,7z,9z)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl] acetate
  • [(2s)-1-acetyloxy-3-[(1z,3z,5z,7z,9z)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl] ethanoate
  • acetic acid [(1s)-1-(acetoxymethyl)-2-[(1z,3z,5z,7z,9z)-dodeca-1,3,5,7,9-pentaenoxy]ethyl] ester
  • dafp-12
  • diacetylfecapentaene-12
  • fecapentaene-12 diacetate
CAS Number(s)
  • 120789-74-4
InChIKey KTCJVVVGQCNQPV-RKPGXGCGSA-N
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