Molecule ID: mol36956

SMILES: O=C1N[C](O)C=CN1[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O

InChI: InChI=1S/C9H14N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.10 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization