O-{[(2R)-2-{[(9S,10S)-9,10-Dibromooctadecanoyl]Oxy}-3-(Palmitoyloxy)Propoxy](Hydroxy)Phosphoryl}-L-Serine

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Properties Simple | Detailed

Formula C40H76Br2NO10P
IUPAC Name (2s)-2-amino-3-[[(2r)-2-[(9s,10s)-9,10-dibromooctadecanoyl]oxy-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxy-propanoic acid
Molecular Mass 921.814 g·mol−1
Heat of Formation -2790.1 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 1078.11 Å 3
Surface Area 921.81 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[[(2r)-2-[(9s,10s)-9,10-dibromo-1-oxooctadecoxy]-3-(1-oxohexadecoxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
  • (2s)-2-amino-3-[[(2r)-2-[(9s,10s)-9,10-dibromooctadecanoyl]oxy-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxy-propanoic acid
  • (2s)-2-amino-3-[[(2r)-2-[(9s,10s)-9,10-dibromooctadecanoyl]oxy-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxy-propionic acid
  • (2s)-2-amino-3-[[(2r)-2-[(9s,10s)-9,10-dibromooctadecanoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
  • ps2
InChIKey HQCXPRBKTHCWQI-HQPLKVBUSA-N
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Elements C H O N P Br