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

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Formula C19H27N8O14P2
IUPAC Name [(1r)-2-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-[(2s,3s,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl] phosphono hydrogen phosphate
Molecular Mass 653.410 g·mol−1
Heat of Formation -2789.8 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 652.91 Å 3
Surface Area 494.86 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
InChIKey NNYRJGMHPFBETL-VOXFUIGQSA-Q
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