2,4,5,6-Tetrahydroxy-1,3-Cyclohexanediyl Bis[Hydrogen (Phosphate)]

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Properties Simple | Detailed

Formula C6H14O12P2
IUPAC Name [(1r,2s,4r,5s)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 340.116 g·mol−1
Heat of Formation -2845.6 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 315.71 Å 3
Surface Area 262.55 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey PUVHMWJJTITUGO-KNBDEEDGSA-N
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