(2R)-3-(Dodecanoyloxy)-2-(Pentacosanoyloxy)Propyl 2-(Trimethylammonio)Ethyl Phosphate

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Properties Simple | Detailed

Formula C45H91NO8P+
IUPAC Name [(2r)-3-dodecanoyloxy-2-pentacosanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate
Molecular Mass 805.180 g·mol−1
Heat of Formation -2426.2 ± 16.7 kJ·mol−1
Dipole Moment 17.95 ± 1.08 D
Volume 1124.15 Å 3
Surface Area 951.84 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(dodecanoyloxy)methyl]-4-hydroxy-n,n,n-trimethyl-9-oxo-3,5,8-trioxa-4-phosphadotriacontan-1-aminium 4-oxide
  • [(2r)-3-(1-oxododecoxy)-2-(1-oxopentacosoxy)propyl] 2-trimethylammonioethyl phosphate
  • [(2r)-3-dodecanoyloxy-2-pentacosanoyloxy-propyl] 2-trimethylammonioethyl phosphate
  • [(2r)-3-dodecanoyloxy-2-pentacosanoyloxy-propyl] 2-trimethylazaniumylethyl phosphate
  • [(2r)-3-lauroyloxy-2-pentacosanoyloxy-propyl] 2-trimethylammonioethyl phosphate
  • pc6
InChIKey KWHAREAUZBVBDS-VZUYHUTRSA-N
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