Molecule ID: mol35996

SMILES: O=C(O)C1OCCOCCO[C@H](C(=O)O)[C@H](C(=O)O)OCCOCCO[C@H](C(=O)O)[C@H](C(=O)O)OCCOCCOC1C(=O)O

InChI: InChI=1S/C24H36O21/c25-19(26)13-14(20(27)28)42-9-3-38-5-11-44-17(23(33)34)18(24(35)36)45-12-6-39-4-10-43-16(22(31)32)15(21(29)30)41-8-2-37-1-7-40-13/h13-18H,1-12H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t13-,14+,15+,16-,17?,18?

Experimental Macro pKa Values

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