1-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonomethyl)Phosphoryl]Oxy}Phosphoryl)Pentofuranosyl]-2,4(1H,3H)-Pyrimidinedione

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Formula C10H17N2O13P3
IUPAC Name [[[(2s,3r,5s)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
Molecular Mass 466.169 g·mol−1
Heat of Formation -3123.7 ± 16.7 kJ·mol−1
Dipole Moment 8.71 ± 1.08 D
Volume 449.45 Å 3
Surface Area 381.54 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey LXPTZNQPTTZWKK-LKEWCRSYSA-N
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