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

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Formula C26H52NO6P
IUPAC Name [(e,2s,3r)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] dihydrogen phosphate
Molecular Mass 505.668 g·mol−1
Heat of Formation -1819.6 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 687.32 Å 3
Surface Area 630.6 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • [(e,2s,3r)-2-(caprylylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate
  • [(e,2s,3r)-3-hydroxy-2-(1-oxooctylamino)octadec-4-enyl] dihydrogen phosphate
  • [(e,2s,3r)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] dihydrogen phosphate
InChIKey VSSNYUXSRXINIP-WRBRXSDHSA-N
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