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

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Formula C10H16N2O11P2
IUPAC Name [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid
Molecular Mass 402.188 g·mol−1
Heat of Formation -2404.7 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 402.42 Å 3
Surface Area 356.8 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey PDEGDTTUBZXACY-ZOQUXTDFSA-N
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