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

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Formula C20H28N7O11P+++
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,5r)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl] hydrogen phosphate
Molecular Mass 573.450 g·mol−1
Heat of Formation -2025.6 ± 16.7 kJ·mol−1
Dipole Moment 11.63 ± 1.08 D
Volume 601.91 Å 3
Surface Area 423.45 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey BROGFZQFXLLSPA-FJLHAGFDSA-R
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