[(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(3-Aminopyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C20H28N7O16P3
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-[[(2r,3r)-2-[(3-amino-4h-pyridin-4-id-1-yl)methoxy]-3-hydroxy-4-oxo-butoxy]-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 715.395 g·mol−1
Heat of Formation -3302.1 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 699.82 Å 3
Surface Area 479.52 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey GFNFGUMNZZTPAR-HISDBWNOSA-P
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