[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C20H26N10O9P
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 581.456 g·mol−1
Heat of Formation -1392.5 ± 16.7 kJ·mol−1
Dipole Moment 13.45 ± 1.08 D
Volume 606.25 Å 3
Surface Area 455.74 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey NYXGWCHNVBMRTE-LSUSWQKBSA-Q
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