Molecule ID: mol36685

SMILES: CO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21

InChI: InChI=1S/C11H18N5O13P3/c1-25-8-7(17)5(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1

Experimental Macro pKa Values

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