Molecule ID: mol37462

SMILES: O=C(O)CN(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI: InChI=1S/C14H25NO12/c16-4-8(20)13(26)11(24)6(18)1-15(3-10(22)23)2-7(19)12(25)14(27)9(21)5-17/h8-9,11-14,16-17,20-21,24-27H,1-5H2,(H,22,23)/t8-,9-,11-,12-,13-,14-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.76 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization