2-(Octanoylsulfanyl)Ethyl 2-(Trimethylammonio)Ethyl Phosphate

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Properties Simple | Detailed

Formula C15H33NO5PS+
IUPAC Name 2-octanoylsulfanylethyl 2-(trimethylammonio)ethyl phosphate
Molecular Mass 370.465 g·mol−1
Heat of Formation -1224.4 ± 16.7 kJ·mol−1
Dipole Moment 17.13 ± 1.08 D
Volume 463.53 Å 3
Surface Area 401.13 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (n-octanoylthio)glycollecithin
  • (n-octanoylthio)phosphatidylcholine
  • 2-(1-oxooctylthio)ethyl 2-trimethylammonioethyl phosphate
  • 2-(caprylylthio)ethyl 2-trimethylammonioethyl phosphate
  • 2-octanoylsulfanylethyl 2-trimethylammonioethyl phosphate
  • 2-octanoylsulfanylethyl 2-trimethylazaniumylethyl phosphate
  • c8-thiopc
CAS Number(s)
  • 99165-87-4
InChIKey TYFWAKJPLMLLTC-UHFFFAOYSA-N
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