Molecule ID: mol37950
SMILES: O=S(=O)(O)CC[C@H]1c2cc(c(O)cc2O)[C@@H](CCS(=O)(=O)O)c2cc(c(O)cc2O)[C@@H](CCS(=O)(=O)O)c2cc(c(O)cc2O)[C@@H](CCS(=O)(=O)O)c2cc1c(O)cc2O
InChI: InChI=1S/C36H40O20S4/c37-29-13-31(39)23-9-21(29)17(1-5-57(45,46)47)22-10-24(32(40)14-30(22)38)19(3-7-59(51,52)53)26-12-28(36(44)16-34(26)42)20(4-8-60(54,55)56)27-11-25(33(41)15-35(27)43)18(23)2-6-58(48,49)50/h9-20,37-44H,1-8H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/t17-,18+,19-,20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | QSARToolbox | -4 » -5 |