(2R,3R,4S,5R)-2-[6-Amino-8-(Quinolin-1-Ium-4A-Id-2-Ylmethylamino)Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol

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Formula C20H22N7O4
IUPAC Name (2r,3r,4s,5r)-2-[6-amino-8-(quinolin-1-ium-4a-id-2-ylmethylamino)purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 424.433 g·mol−1
Heat of Formation -275.3 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 468.5 Å 3
Surface Area 382.82 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey DMAGVLMMUORKLN-NVQRDWNXSA-O
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