Molecule ID: mol35717

SMILES: Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

InChI: InChI=1S/C10H15BrN5O13P3/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.83 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization