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

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Properties Simple | Detailed

Formula C26H53NO7P+
IUPAC Name 2-[hydroxy-[(2r)-2-hydroxy-3-[(z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Molecular Mass 522.675 g·mol−1
Heat of Formation 2025.2 ± 16.7 kJ·mol−1
Dipole Moment 9.73 ± 1.08 D
Volume 466.38 Å 3
Surface Area 417.55 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -3.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[hydroxy-[(2r)-2-hydroxy-3-[(z)-1-oxooctadec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium
  • 2-[hydroxy-[(2r)-2-hydroxy-3-[(z)-octadec-9-enoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium
  • 2-[hydroxy-[(2r)-2-hydroxy-3-[(z)-octadec-9-enoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-azanium
InChIKey YAMUFBLWGFFICM-PTGWMXDISA-O
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