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

Molecule SVG Image

Properties Simple | Detailed

Formula C34H68NO6P
IUPAC Name [(e,2s,3r)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate
Molecular Mass 617.881 g·mol−1
Heat of Formation -1989.1 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 861.48 Å 3
Surface Area 789.75 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • [(e,2s,3r)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate
  • [(e,2s,3r)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
  • [(e,2s,3r)-3-hydroxy-2-(1-oxohexadecylamino)octadec-4-enyl] dihydrogen phosphate
  • [(e,2s,3r)-3-hydroxy-2-palmitamido-octadec-4-enyl] dihydrogen phosphate
  • cerp(d18:1/16:0)
  • lmsp02050002
  • n-(hexadecanoyl)-sphing-4-enine-1-phosphate
InChIKey UNRULDRRONAKLU-TURZORIXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N