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

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Properties Simple | Detailed

Formula C11H19N2O13P3
IUPAC Name [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 480.195 g·mol−1
Heat of Formation -3194.8 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 466.03 Å 3
Surface Area 355.45 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey AFUOLHFRDGMFSB-DJLDLDEBSA-N
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