(2S)-3-{[(R)-[(2R)-2,3-Dihydroxypropoxy](Hydroxy)Phosphoryl]Oxy}-2-[(6Z)-6-Hexadecenoyloxy]Propyl (8E)-8-Octadecenoate

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Properties Simple | Detailed

Formula C40H75O10P
IUPAC Name [(2s)-3-[[(2r)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-2-[(z)-hexadec-6-enoyl]oxy-propyl] (e)-octadec-8-enoate
Molecular Mass 746.991 g·mol−1
Heat of Formation -2660.2 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 991.06 Å 3
Surface Area 868.76 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6e)-hexadec-6-enoyloxy]propyl (8e)-octadec-8-enoate
  • (e)-octadec-8-enoic acid [(2s)-3-(glyceryloxy-hydroxy-phosphoryl)oxy-2-[(z)-hexadec-6-enoyl]oxy-propyl] ester
  • (e)-octadec-8-enoic acid [(2s)-3-[[(2r)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(z)-1-oxohexadec-6-enoxy]propyl] ester
  • [(2s)-3-[[(2r)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-2-[(z)-hexadec-6-enoyl]oxy-propyl] (e)-octadec-8-enoate
  • [(2s)-3-[[(2r)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(z)-hexadec-6-enoyl]oxypropyl] (e)-octadec-8-enoate
InChIKey WLVNRDXLPAAELE-GDRYEXQRSA-N
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