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

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Formula C19H21N7O5++
IUPAC Name 9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[(1-hydroxy-4-imino-5,6,7,8-tetrahydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaid-3-yl)amino]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 427.414 g·mol−1
Heat of Formation -211.5 ± 16.7 kJ·mol−1
Dipole Moment 9.11 ± 1.08 D
Volume 459.88 Å 3
Surface Area 395.85 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
InChIKey WKEBBEQJXNBVDF-MKOOQRNASA-Q
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