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

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Properties Simple | Detailed

Formula C46H96O11P2
IUPAC Name formaldehyde; [(2s)-2-hydroxy-3-phosphooxy-propyl] hydrogen phosphate; (3r,7r,11r)-3,7,11,15-tetramethyl-1-[2-[(3r,7r,11r)-3,7,11,15-tetramethylhexadecoxy]ethoxy]hexadecane
Molecular Mass 887.195 g·mol−1
Heat of Formation -3380.3 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 1218.17 Å 3
Surface Area 1034.12 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s)-2,3-bis[(3r,7r,11r)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2r)-2-hydroxy-3-phosphonooxy-propyl] hydrogen phosphate
  • [(2s)-2,3-bis[(3r,7r,11r)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2r)-2-hydroxy-3-phosphonooxypropyl] hydrogen phosphate
  • l3p
InChIKey TZXJQSKPTCRGCA-XOXLRZKWSA-N
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