Molecule ID: mol37284

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

InChI: InChI=1S/C9H17NO7/c1-4(9(16)17)10-2-5(12)7(14)8(15)6(13)3-11/h4,6-8,10-11,13-15H,2-3H2,1H3,(H,16,17)/t4-,6+,7+,8+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization