Molecule ID: mol14412
SMILES: Cc1c(C)c2c(c(C)c1OP(=O)(O)O)CCC(C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2
InChI: InChI=1S/C29H51O5P/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(34-35(30,31)32)23(5)24(6)28(26)33-29/h20-22H,9-19H2,1-8H3,(H2,30,31,32)/t21-,22-,29?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.44 | Datawarrior | -1 » -2 |