(5S)-6-{6-[(1E,3R,5Z)-3-Hydroxy-1,5-Undecadien-1-Yl]-2-Pyridinyl}-1,5-Hexanediol

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Formula C22H35NO3
IUPAC Name (5s)-6-[6-[(1e,3r,5z)-3-hydroxyundeca-1,5-dienyl]-2-pyridyl]hexane-1,5-diol
Molecular Mass 361.518 g·mol−1
Heat of Formation -606.0 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 499.78 Å 3
Surface Area 366.42 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-6-[6-[(1e,3r,5z)-3-hydroxyundeca-1,5-dienyl]-2-pyridyl]hexane-1,5-diol
  • (5s)-6-[6-[(1e,3r,5z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol
  • 1,5-hexanediol, 6-(6-(3-hydroxy-1,5-undecadienyl)-2-pyridinyl)-, (r-(r*,s*-(e,z)))-
  • 6-(6-(3-hydroxy-1,5-undecadien-1-yl)-2-pyridinyl)-1,5-hexanediol
  • u 75302
  • u-75302
CAS Number(s)
  • 119477-85-9
InChIKey JNBOAUIJLDEICX-LJCAKPRGSA-N
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