Molecule ID: mol36050
SMILES: CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
InChI: InChI=1S/C34H58N2O7/c1-9-30-23(4)17-21(2)11-12-28(37)22(3)18-26(13-16-36-14-10-15-36)33(25(6)29(38)20-31(39)42-30)43-34-32(40)27(35(7)8)19-24(5)41-34/h11-12,17,22-27,29-30,32-34,38,40H,9-10,13-16,18-20H2,1-8H3/b12-11+,21-17+/t22-,23+,24-,25+,26+,27+,29?,30-,32-,33-,34+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.49 | QSARToolbox | 2 » 1 |