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

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Formula C17H36O22P4
IUPAC Name [3-[(2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexoxy)-hydroxy-phosphoryl]oxy-2-(1-hydroxybutoxy)propyl] butanoate
Molecular Mass 716.350 g·mol−1
Heat of Formation -5491.8 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 715.32 Å 3
Surface Area 548.44 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey JPQZDANYJXWKKH-XKUBOQIMSA-N
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