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

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Properties Simple | Detailed

Formula C20H40NO6P
IUPAC Name [(e,2s,3r)-2-acetamido-3-hydroxy-octadec-4-enyl] dihydrogen phosphate
Molecular Mass 421.508 g·mol−1
Heat of Formation -1688.3 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 554.59 Å 3
Surface Area 506.8 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3e)-2-acetamido-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
  • [(e,2s,3r)-2-acetamido-3-hydroxy-octadec-4-enyl] dihydrogen phosphate
  • [(e,2s,3r)-2-acetamido-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
  • c2-ceramide 1-phosphate
  • n-acetylsphingosine 1-phosphate
InChIKey HWPZKJVGDYNEAW-QUDYQQOWSA-N
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