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

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Formula C21H29N7O13P2
IUPAC Name [[(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r)-2-[(3-carbamoyl-4h-pyridin-4-id-1-yl)methoxy]-3-hydroxy-4-oxo-butyl] hydrogen phosphate
Molecular Mass 649.442 g·mol−1
Heat of Formation -2506.9 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 664.22 Å 3
Surface Area 447.14 Å 2
HOMO Energy -7.67 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
InChIKey KTSYBAVNVZXUGP-HJKWLTBHSA-P
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