Molecule ID: mol38320

SMILES: O=C(O)CN1CCOCCOCCN(CC(=O)O)CCO[C@@H](C(=O)O)[C@H](C(=O)O)OCC1

InChI: InChI=1S/C18H30N2O12/c21-13(22)11-19-1-5-29-9-10-30-6-2-20(12-14(23)24)4-8-32-16(18(27)28)15(17(25)26)31-7-3-19/h15-16H,1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)/t15-,16-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.88 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization