3,4,6-Trihydroxy-5-{[Hydroxy(3-Hydroxy-2-Oxopropoxy)Phosphoryl]Oxy}-1,2-Cyclohexanediyl Bis[Hydrogen (Phosphate)]

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Formula C9H19O17P3
IUPAC Name (3-hydroxy-2-oxo-propyl) [(1s,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl] hydrogen phosphate
Molecular Mass 492.158 g·mol−1
Heat of Formation -4074.1 ± 16.7 kJ·mol−1
Dipole Moment 8.06 ± 1.08 D
Volume 460.01 Å 3
Surface Area 359.51 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey JBQPYAMQMBKZDT-VKHFAMPOSA-N
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