Molecule ID: mol37583

SMILES: O=C(O)[C@@H]1CSC([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1

InChI: InChI=1S/C9H17NO7S/c11-1-4(12)5(13)6(14)7(15)8-10-3(2-18-8)9(16)17/h3-8,10-15H,1-2H2,(H,16,17)/t3-,4+,5-,6-,7+,8?/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.53 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization