Molecule ID: mol31822
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C/CCCCCCCC
InChI: InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17+,20-18+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | OCHEM | 0 » -1 |
| 7.55 | OCHEM | 0 » -1 |
| 7.55 | OCHEM | 0 » -1 |