2-Amino-9-[(2R,4R,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8-[(1-Methyl-6-Phenyl-Imidazo[4,5-B]Pyridine-3,4-Diium-7A-Id-2-Yl)Amino]-3H-Purine-1,7-Diium-4-Id-6-One

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Formula C23H25N9O4
IUPAC Name 2-amino-9-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[(1-methyl-6-phenyl-imidazo[4,5-b]pyridine-3,4-diium-7a-id-2-yl)amino]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 491.503 g·mol−1
Heat of Formation -34.9 ± 16.7 kJ·mol−1
Dipole Moment 15.51 ± 1.08 D
Volume 542.58 Å 3
Surface Area 444.09 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey SBQVQSDDPCUBQL-BZUAXINKSA-P
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