2-Amino-8-[(1R)-4-Amino-1-Oxido-2H-Quinolin-1-Ium-1-Yl]-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purine-1,7-Diium-4-Id-6-One

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Formula C19H24N7O5++
IUPAC Name 2-amino-8-[(1r)-4-amino-1-oxido-2h-quinolin-1-ium-1-yl]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 430.438 g·mol−1
Heat of Formation -221.6 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 463.74 Å 3
Surface Area 377.98 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey KPWFKJWOGAITCL-NOCQENOTSA-Q
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