(2R)-1-{[(R)-Hydroxy{[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxy}Phosphoryl]Oxy}-3-(Palmitoyloxy)-2-Propanyl Heptadecanoate

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Properties Simple | Detailed

Formula C42H81O13P
IUPAC Name [(1r)-1-(hexadecanoyloxymethyl)-2-[hydroxy-[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexoxy]phosphoryl]oxy-ethyl] heptadecanoate
Molecular Mass 825.059 g·mol−1
Heat of Formation -3423.4 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 1079.73 Å 3
Surface Area 935.88 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey QVAGJHIIXLLVCI-RODZYWKESA-N
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