[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C20H28N7O14P2++
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 652.422 g·mol−1
Heat of Formation -2778.5 ± 16.7 kJ·mol−1
Dipole Moment 14.90 ± 1.08 D
Volume 691.81 Å 3
Surface Area 504.77 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey WTQBUPKSDCSNJT-PRSXHHODSA-R
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