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

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Properties Simple | Detailed

Formula C42H83NO8P+
IUPAC Name [(2s)-3-hexadecanoyloxy-2-[(z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
Molecular Mass 761.084 g·mol−1
Heat of Formation -2263.6 ± 16.7 kJ·mol−1
Dipole Moment 15.69 ± 1.08 D
Volume 1043.43 Å 3
Surface Area 859.09 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(9z-octadecenoyl)-3-hexadecanoyl-sn-glycero-3-phosphocholine
  • 3,5,8-trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, [s-(z)]-
  • 3-palmitoyl-2-oleoyl-sn-glycero-1-phosphorylcholine
  • [(2s)-3-(1-oxohexadecoxy)-2-[(z)-1-oxooctadec-9-enoxy]propyl] 2-trimethylammonioethyl phosphate
  • [(2s)-3-hexadecanoyloxy-2-[(z)-octadec-9-enoyl]oxy-propyl] 2-trimethylammonioethyl phosphate
  • [(2s)-3-hexadecanoyloxy-2-[(z)-octadec-9-enoyl]oxy-propyl] 2-trimethylazaniumylethyl phosphate
  • choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1-palmito-2-olein, d-
  • lmgp01010583
  • pc(16:0/18:1(9z)[s])
InChIKey WTJKGGKOPKCXLL-PFDVCBLKSA-N
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