Molecule ID: mol35201
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C32H57N3O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-32(46)47-25-26(35(23-30(42)43)24-31(44)45)19-33(20-27(36)37)17-15-18-34(21-28(38)39)22-29(40)41/h26H,2-25H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)/t26-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.04 | QSARToolbox | -4 » -5 |