(2S,5R,8R,13S,17R,21S)-2,5-Dihydroxy-13,17,21,25-Tetramethyl-5-Oxido-8-{[(3S,7R,11S)-3,7,11,15-Tetramethylhexadecyl]Oxy}-4,6,10-Trioxa-5Lambda~5~-Phosphahexacos-1-Yl Dihydrogen Phosphate

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Formula C46H96O11P2
IUPAC Name [(2r)-2,3-bis[(3s,7r,11s)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2s)-2-hydroxy-3-phosphonooxy-propyl] hydrogen phosphate
Molecular Mass 887.195 g·mol−1
Heat of Formation -3422.5 ± 16.7 kJ·mol−1
Dipole Moment 8.70 ± 1.08 D
Volume 1198.5 Å 3
Surface Area 1038.78 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r)-2,3-bis[(3s,7r,11s)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2s)-2-hydroxy-3-phosphonooxy-propyl] hydrogen phosphate
  • [(2r)-2,3-bis[(3s,7r,11s)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2s)-2-hydroxy-3-phosphonooxypropyl] hydrogen phosphate
  • dphpg
  • phosphoric acid 2,3-bis-(3,7,11,15-tetramethyl-hexadecyloxy)-propyl ester 2-hydroxo-3-phosphonooxy-propyl ester
InChIKey TZXJQSKPTCRGCA-QVBLKRSVSA-N
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