Molecule ID: mol70
SMILES: COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2/C=C/C(=O)C(C)CC(CC=O)C1OC1OC(C)C(O)C(N(C)C)C1O
InChI: InChI=1S/C30H47NO12/c1-15-12-19(10-11-32)28(43-30-27(37)25(31(5)6)26(36)17(3)40-30)29(38-7)23(41-18(4)33)14-24(35)39-16(2)13-22-21(42-22)9-8-20(15)34/h8-9,11,15-17,19,21-23,25-30,36-37H,10,12-14H2,1-7H3/b9-8+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.44 | Settimo | 1 » 0 |