Molecule ID: mol38151

SMILES: CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](O)CCN)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C24H45N5O14/c1-7(31)28-8-4-9(29-22(39)10(32)2-3-25)21(42-23-16(35)13(27)14(33)12(6-30)41-23)19(38)20(8)43-24-18(37)17(36)15(34)11(5-26)40-24/h8-21,23-24,30,32-38H,2-6,25-27H2,1H3,(H,28,31)(H,29,39)/t8-,9+,10-,11+,12+,13-,14+,15+,16+,17-,18+,19-,20+,21-,23+,24+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.70 QSARToolbox 3 » 2
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Charge States and Microspecies Visualization