(2S)-2-[(9Z)-9-Octadecenoyloxy]-3-(Stearoyloxy)Propyl 2-(Trimethylammonio)Ethyl Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C44H87NO8P+
IUPAC Name [(2s)-3-octadecanoyloxy-2-[(z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
Molecular Mass 789.137 g·mol−1
Heat of Formation -2263.7 ± 16.7 kJ·mol−1
Dipole Moment 17.21 ± 1.08 D
Volume 1088.15 Å 3
Surface Area 929.63 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(9z-octadecenoyl)-3-octadecanoyl-sn-glycero-3-phosphocholine
  • 3,5,9-trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-, inner salt, 4-oxide, [s-(z)]-
  • [(2s)-2-[(z)-1-oxooctadec-9-enoxy]-3-(1-oxooctadecoxy)propyl] 2-trimethylammonioethyl phosphate
  • [(2s)-2-[(z)-octadec-9-enoyl]oxy-3-stearoyloxy-propyl] 2-trimethylammonioethyl phosphate
  • [(2s)-3-octadecanoyloxy-2-[(z)-octadec-9-enoyl]oxy-propyl] 2-trimethylammonioethyl phosphate
  • [(2s)-3-octadecanoyloxy-2-[(z)-octadec-9-enoyl]oxy-propyl] 2-trimethylazaniumylethyl phosphate
  • [(2s)-3-octadecanoyloxy-2-[(z)-octadec-9-enoyl]oxypropyl] 2-trimethylazaniumylethyl phosphate
  • choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1-stearo-2-olein, l-
  • lmgp01010762
  • pc(18:0/18:1(9z)[s])
InChIKey ATHVAWFAEPLPPQ-FLHXZNPISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N