1-(2-Deoxy-5-O-Phosphonatopentofuranosyl)-5-Iodo-2,4(1H,3H)-Pyrimidinedione

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Formula C9H12IN2O8P++
IUPAC Name [(2r,3s,5s)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 434.078 g·mol−1
Heat of Formation -1646.4 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 351.41 Å 3
Surface Area 307.17 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey WXFYBFRZROJDLL-XVMARJQXSA-N
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