Molecule ID: mol38073

SMILES: NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H]3O[C@@H]4[C@@H](O)[C@H](N)C[C@H](N)[C@H]4O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4NC[C@H]2O3)[C@H](N)[C@@H](O)[C@@H]1O

InChI: InChI=1S/C23H44N6O12/c24-2-7-13(31)15(33)10(28)21(36-7)40-19-9-4-29-11-16(34)14(32)8(3-25)37-22(11)39-18-6(27)1-5(26)12(30)20(18)41-23(38-9)17(19)35/h5-23,29-35H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.37 QSARToolbox 6 » 5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization