(2R)-3-{[{[(1S,2S,3R,4S,5S,6S)-2,6-Dihydroxy-3,4,5-Tris(Phosphonooxy)Cyclohexyl]Oxy}(Hydroxy)Phosphoryl]Oxy}-1,2-Propanediyl Dioctanoate

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Formula C25H50O22P4
IUPAC Name [(2r)-3-[[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
Molecular Mass 826.546 g·mol−1
Heat of Formation -5634.4 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 882.05 Å 3
Surface Area 740.48 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey ANFYVAHJWGJYAT-QLCNXWICSA-N
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