1-{2-Deoxy-3,5-O-[(4-Iodophenyl)(Phosphono)Methylene]-β-D-Threo-Pentofuranosyl}-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Formula C17H18IN2O8P++
IUPAC Name [(2r,4ar,6r,7ar)-2-(4-iodophenyl)-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
Molecular Mass 536.212 g·mol−1
Heat of Formation -1501.6 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 472.51 Å 3
Surface Area 348.39 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey CXQVVVNMWAGPGY-VMUDFCTBSA-N
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