(19S,25R)-22,25,26-Trihydroxy-22-Oxido-16-Oxo-17,21,23-Trioxa-22Lambda~5~-Phosphahexacosan-19-Yl Stearate

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Properties Simple | Detailed

Formula C40H79O10P
IUPAC Name [(1s)-1-[[[(2r)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] octadecanoate
Molecular Mass 751.023 g·mol−1
Heat of Formation -2795.0 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 1020.31 Å 3
Surface Area 924.62 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s)-1-[[[(2r)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] octadecanoate
  • [(2s)-1-[[(2r)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] octadecanoate
  • [(2s)-1-[[(2r)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadecanoate
  • octadecanoic acid [(1s)-1-[[[(2r)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxymethyl]-2-(1-oxohexadecoxy)ethyl] ester
  • pgt
InChIKey KBPVYRBBONZJHF-AMAPPZPBSA-N
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