N-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-6-Oxo-8H-Purine-1,3-Diium-5,8-Diid-7-Yl]Quinolin-1-Ium-4A-Id-4-Amine Oxide

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Formula C19H23N7O6+
IUPAC Name n-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-8h-purine-1,3-diium-5,8-diid-7-yl]quinolin-1-ium-4a-id-4-amine oxide
Molecular Mass 445.429 g·mol−1
Heat of Formation -277.6 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 467.95 Å 3
Surface Area 391.27 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry C1
InChIKey RXQFKOXEJOMHRF-TZDSRONYSA-Q
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