(7R,18Z)-4-Hydroxy-N,N,N-Trimethyl-7-[(9Z)-9-Octadecenoyloxy]-10-Oxo-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium 4-Oxide

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Properties Simple | Detailed

Formula C44H85NO8P+
IUPAC Name 2-[[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Molecular Mass 787.121 g·mol−1
Heat of Formation 4139.4 ± 16.7 kJ·mol−1
Dipole Moment 9.17 ± 1.08 D
Volume 634.31 Å 3
Surface Area 489.33 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -3.33 ± eV
Point Group Symmetry C1
Synonyms
  • (z,z)-4-hydroxy-n,n,n-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium-4-oxide
  • 2-[[(2r)-2,3-bis[(z)-1-oxooctadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium
  • 2-[[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
  • 2-[[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium
  • pcw
InChIKey SNKAWJBJQDLSFF-NVKMUCNASA-O
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