5'-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphorothioyl)Thymidine

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Formula C10H17N2O13P3S
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphinothioyl] phosphono hydrogen phosphate
Molecular Mass 498.234 g·mol−1
Heat of Formation -3260.2 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 482.45 Å 3
Surface Area 371.49 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
InChIKey PXHHTOSRELKWOE-ISVKTPMGSA-N
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