Molecule ID: mol37300

SMILES: O=C(O)CNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O

InChI: InChI=1S/C8H15NO7/c10-4-2-16-8(15,7(14)6(4)13)3-9-1-5(11)12/h4,6-7,9-10,13-15H,1-3H2,(H,11,12)/t4-,6-,7+,8-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization