(7R)-4-Hydroxy-N,N,N-Trimethyl-9-Oxo-7-[(Tridecanoyloxy)Methyl]-3,5,8-Trioxa-4-Phosphapentacosan-1-Aminium 4-Oxide

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Properties Simple | Detailed

Formula C38H77NO8P+
IUPAC Name 2-[[(2r)-2-heptadecanoyloxy-3-tridecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
Molecular Mass 706.994 g·mol−1
Heat of Formation 3696.2 ± 16.7 kJ·mol−1
Dipole Moment 70.15 ± 1.08 D
Volume 593.9 Å 3
Surface Area 485.24 Å 2
HOMO Energy -6.80 ± 0.55 eV
LUMO Energy -4.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2r)-2-heptadecanoyloxy-3-tridecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
  • 2-[[(2r)-2-heptadecanoyloxy-3-tridecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium
  • 2-[hydroxy-[(2r)-2-(1-oxoheptadecoxy)-3-(1-oxotridecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium
InChIKey AZEAMUNCULVBPK-PSXMRANNSA-O
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