[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C19H25N7O13P2++
IUPAC Name [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 621.388 g·mol−1
Heat of Formation -2680.3 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 633.65 Å 3
Surface Area 446.07 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey FVKQICOBJKECDT-IDMWBNCISA-Q
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