Molecule ID: mol35298

SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1N

InChI: InChI=1S/C10H17N6O12P3/c11-5-7(17)4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
13.69 QSARToolbox -4 » -5
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Charge States and Microspecies Visualization