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

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Formula C18H28N2O17P2++
IUPAC Name [(2r,3r,4r,5r,6r)-3-acetonyl-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 606.366 g·mol−1
Heat of Formation -3736.7 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 615.72 Å 3
Surface Area 479.42 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
InChIKey ODPRJDNNGDXFOQ-YIUJVFLPSA-N
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