[(2R,3S,4R,5R)-5-(2,4-Dioxo-5-Phenyl-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate

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Formula C21H28N2O17P2++
IUPAC Name [[(2r,3s,4r,5r)-5-(2,4-dioxo-5-phenyl-pyrimidin-1-ium-5-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 642.398 g·mol−1
Heat of Formation -3598.5 ± 16.7 kJ·mol−1
Dipole Moment 8.98 ± 1.08 D
Volume 652.71 Å 3
Surface Area 509.13 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey MBQWFWCBPKCMTC-ATMROTIPSA-N
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