(2S,3R,4E)-2-(Dodecanoylamino)-3-Hydroxy-4-Octadecen-1-Yl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C30H60NO6P
IUPAC Name [(e,2s,3r)-2-(dodecanoylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate
Molecular Mass 561.774 g·mol−1
Heat of Formation -1903.9 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 776.13 Å 3
Surface Area 710.26 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • [(e,2s,3r)-2-(dodecanoylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate
  • [(e,2s,3r)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
  • [(e,2s,3r)-3-hydroxy-2-(1-oxododecylamino)octadec-4-enyl] dihydrogen phosphate
  • [(e,2s,3r)-3-hydroxy-2-(lauroylamino)octadec-4-enyl] dihydrogen phosphate
InChIKey KXEMZGPJXBKYJP-VARSQMIESA-N
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