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

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Formula C16H20N2O11P2
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phenyl hydrogen phosphate
Molecular Mass 478.284 g·mol−1
Heat of Formation -2485.6 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 490.85 Å 3
Surface Area 418.59 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey BANJVYKYIQPYKP-BFHYXJOUSA-N
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