2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7-[(E)-(1-Hydroxy-3H-Quinolin-1-Ium-3-Id-4-Ylidene)Amino]-8H-Purin-3-Ium-1-Id-6-One

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Formula C19H31N7O6+
IUPAC Name [(7r,9r)-2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3,8-dihydropurin-1-ium-7-yl]-(1-oxido-3,5,6,8-tetrahydro-2h-quinoline-2,3,4,4a,5,6,8,8a-octaid-4-yl)azanide
Molecular Mass 453.493 g·mol−1
Heat of Formation -5.0 ± 16.7 kJ·mol−1
Dipole Moment 11.68 ± 1.08 D
Volume 467.73 Å 3
Surface Area 383.43 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
InChIKey HMMTWBPDGQTABW-HCLKXLGCSA-N
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