O-[(2R)-2,3-Bis(Pentanoyloxy)Propyl] O-[2-(Trimethylammonio)Ethyl] Phosphorodithioate

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Properties Simple | Detailed

Formula C18H36NO6PS2
IUPAC Name 2-[[(2r)-2,3-di(pentanoyloxy)propoxy]-sulfido-phosphinothioyl]oxyethyl-trimethyl-ammonium
Molecular Mass 457.585 g·mol−1
Heat of Formation 1528.6 ± 16.7 kJ·mol−1
Dipole Moment 12.18 ± 1.08 D
Volume 395.41 Å 3
Surface Area 336.84 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-di-n-pentanoyl-sn-glycero-3-dithiophosphocholine
  • 2-[[(2r)-2,3-bis(1-oxopentoxy)propoxy]-sulfidophosphinothioyl]oxyethyl-trimethylammonium
  • 2-[[(2r)-2,3-di(pentanoyloxy)propoxy]-sulfido-phosphinothioyl]oxyethyl-trimethyl-ammonium
  • 2-[[(2r)-2,3-di(pentanoyloxy)propoxy]-sulfido-phosphinothioyl]oxyethyl-trimethyl-azanium
  • 2-[[(2r)-2,3-divaleryloxypropoxy]-sulfido-thiophosphoryl]oxyethyl-trimethyl-ammonium
  • pc5
InChIKey WEXRBKRFCBLWEL-MRXNPFEDSA-N
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