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

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Formula C12H17F4N2O12P3++
IUPAC Name [[[difluoro-[hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]methyl]-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid
Molecular Mass 550.184 g·mol−1
Heat of Formation -3743.4 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 510.7 Å 3
Surface Area 424.35 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey HHJYLFURQLSDJT-XLPZGREQSA-N
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