[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate

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Formula C14H22N2O16P2++
IUPAC Name [[(2r,3s,4r,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 536.276 g·mol−1
Heat of Formation -3465.8 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 531.07 Å 3
Surface Area 420.03 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey DQQDLYVHOTZLOR-YDXBSWQDSA-P
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