(7R,14S,15S)-14,15-Dibromo-4-Hydroxy-N,N,N-Trimethyl-9-Oxo-7-[(Palmitoyloxy)Methyl]-3,5,8-Trioxa-4-Phosphahexacosan-1-Aminium 4-Oxide

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Formula C42H83Br2NO8P+
IUPAC Name 2-[[(2r)-2-[(6s,7s)-6,7-dibromooctadecanoyl]oxy-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
Molecular Mass 920.892 g·mol−1
Heat of Formation 4012.7 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 621.99 Å 3
Surface Area 380.24 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -3.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2r)-2-[(6s,7s)-6,7-dibromo-1-oxooctadecoxy]-3-(1-oxohexadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium
  • 2-[[(2r)-2-[(6s,7s)-6,7-dibromooctadecanoyl]oxy-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
  • 2-[[(2r)-2-[(6s,7s)-6,7-dibromooctadecanoyl]oxy-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium
  • pc9
InChIKey JYNIJUKRMQKJED-WKSNTLBMSA-O
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