[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [[(2R,3S,4R,5R)-5-[(7R)-2-(Dimethylamino)-7-Methyl-6-Oxo-1,8-Dihydropurin-3-Ium-5-Id-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Formula C23H36N10O18P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2r,3s,4r,5r)-5-[(7r)-2-(dimethylamino)-7-methyl-6-oxo-1,8-dihydropurin-3-ium-5-id-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 833.509 g·mol−1
Heat of Formation -3698.0 ± 16.7 kJ·mol−1
Dipole Moment 9.06 ± 1.08 D
Volume 852.86 Å 3
Surface Area 672.3 Å 2
HOMO Energy -8.01 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
InChIKey HUYHJUNCAZAXMM-NAGRZYTCSA-Q
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