2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8-[(3-Methylimidazo[4,5-F]Quinoline-1,6-Diium-3A,9A-Diid-2-Yl)Amino]-3H-Purine-1,7-Diium-4-Id-6-One

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Formula C21H23N9O4+
IUPAC Name 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[(3-methylimidazo[4,5-f]quinoline-1,6-diium-3a,9a-diid-2-yl)amino]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 465.465 g·mol−1
Heat of Formation -89.2 ± 16.7 kJ·mol−1
Dipole Moment 12.61 ± 1.08 D
Volume 504.04 Å 3
Surface Area 407.2 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
InChIKey CCGUIQSURBJLEB-BFHYXJOUSA-P
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