Molecule ID: mol35201

SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

InChI: InChI=1S/C32H57N3O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-32(46)47-25-26(35(23-30(42)43)24-31(44)45)19-33(20-27(36)37)17-15-18-34(21-28(38)39)22-29(40)41/h26H,2-25H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)/t26-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.04 QSARToolbox -4 » -5
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Charge States and Microspecies Visualization