(2R)-2-Hydroxy-3-[(9Z)-9-Octadecenoyloxy]Propyl 2-(Trimethylammonio)Ethyl Phosphate

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Properties Simple | Detailed

Formula C26H52NO7P
IUPAC Name 2-[hydroxy-[(2r)-2-hydroxy-3-[(e)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Molecular Mass 521.667 g·mol−1
Heat of Formation 2187.6 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 559.1 Å 3
Surface Area 504.13 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -3.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[hydroxy-[(2r)-2-hydroxy-3-[(e)-1-oxooctadec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium
  • 2-[hydroxy-[(2r)-2-hydroxy-3-[(e)-octadec-9-enoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium
  • 2-[hydroxy-[(2r)-2-hydroxy-3-[(e)-octadec-9-enoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-azanium
InChIKey YAMUFBLWGFFICM-ZOGNMOHXSA-O
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