1-[(3Xi)-2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Glycero-Pentofuranosyl]-5-[(1E)-1-Propen-1-Yl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C12H19N2O14P3++
IUPAC Name [[(2r,3r,5r)-5-[2,4-dioxo-5-[(e)-prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 508.206 g·mol−1
Heat of Formation -3446.4 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 483.64 Å 3
Surface Area 367.46 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey CAXWPNQGBOGSQH-KETIJMSOSA-N
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