[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C30H38N15O19P3
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 1005.633 g·mol−1
Heat of Formation -3459.4 ± 16.7 kJ·mol−1
Dipole Moment 8.14 ± 1.08 D
Volume 1026.47 Å 3
Surface Area 795.66 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey VPWIHMIVUJMPJH-UQTMIEBXSA-Q
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