Molecule ID: mol18923

SMILES: CC1(C)O[C@@H]2[C@@H](CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1

InChI: InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.70 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization