5'-O-[{Difluoro[Hydroxy(Phosphonooxy)Phosphoryl]Methyl}(Hydroxy)Phosphoryl]Thymidine

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Formula C11H17F2N2O13P3++
IUPAC Name [difluoro-[hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]methyl]-phosphonooxy-phosphinic acid
Molecular Mass 516.176 g·mol−1
Heat of Formation -3621.8 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 478.92 Å 3
Surface Area 408.89 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
InChIKey WQZXQECPJNOPSV-XLPZGREQSA-N
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