Molecule ID: mol19587
SMILES: CCC1OC(=O)CC(O)C(C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C(CC=O)CC(C)C(=O)/C=C\C(C)=C/C1C
InChI: InChI=1S/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10-,18-14-/t19?,20?,21-,22?,23?,24+,26?,27?,29-,30?,31+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.83 | Baltruschat ChEMBL | 1 » 0 |