(7S)-4-Hydroxy-N,N,N-Trimethyl-9-Oxo-7-[(Palmitoyloxy)Methyl]-3,5,8-Trioxa-4-Phosphahexacosan-1-Aminium 4-Oxide

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Properties Simple | Detailed

Formula C42H85NO8P+
IUPAC Name 2-[[(2s)-3-hexadecanoyloxy-2-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Molecular Mass 763.100 g·mol−1
Heat of Formation 4132.0 ± 16.7 kJ·mol−1
Dipole Moment 83.16 ± 1.08 D
Volume 419.96 Å 3
Surface Area 237.35 Å 2
HOMO Energy -6.06 ± 0.55 eV
LUMO Energy -4.77 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-3-hexadecanoyloxy-2-octadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
  • 2-[[(2s)-3-hexadecanoyloxy-2-octadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium
  • 2-[[(2s)-3-hexadecanoyloxy-2-stearoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
  • 2-[hydroxy-[(2s)-3-(1-oxohexadecoxy)-2-(1-oxooctadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium
InChIKey PZNPLUBHRSSFHT-FAIXQHPJSA-O
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