3,4-Dihydroxy-6-Methyl-5-Oxotetrahydro-2H-Pyran-2-Yl [5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C15H22N2O16P2++
IUPAC Name [(2r,3r,4r,6r)-3,4-dihydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
Molecular Mass 548.287 g·mol−1
Heat of Formation -3108.9 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 527.5 Å 3
Surface Area 412.56 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey DDWGQQADOIMFOI-JPHISPRKSA-L
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