Molecule ID: mol37416

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

InChI: InChI=1S/C13H24N2O8/c16-7-15-8(12(20)21)3-1-2-4-14-6-13(22)11(19)10(18)9(17)5-23-13/h7-11,14,17-19,22H,1-6H2,(H,15,16)(H,20,21)/t8-,9+,10+,11-,13+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.02 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization