Molecule ID: mol30045

SMILES: Nc1nccc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

InChI: InChI=1S/C11H16N4O10P2/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(17)8(16)6(24-11)3-23-27(21,22)25-26(18,19)20/h1-2,4,6,8-9,11,16-17H,3H2,(H2,12,13)(H,21,22)(H2,18,19,20)/t6-,8-,9-,11-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.10 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization