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

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Formula C16H26N2O15P2++
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 548.330 g·mol−1
Heat of Formation -3413.1 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 560.96 Å 3
Surface Area 399.24 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
InChIKey ZOSQFDVXNQFKBY-WWYDVSSASA-L
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