Molecule ID: mol19589

SMILES: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(N)C(C)C(OC(=O)O)C1(C)OC(=O)O

InChI: InChI=1S/C39H70N2O16/c1-14-25-39(10,57-36(47)48)32(56-35(45)46)20(4)27(40)18(2)16-37(8,49)31(55-34-28(42)24(41(11)12)15-19(3)51-34)21(5)29(22(6)33(44)53-25)54-26-17-38(9,50-13)30(43)23(7)52-26/h18-32,34,42-43,49H,14-17,40H2,1-13H3,(H,45,46)(H,47,48)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.31 Baltruschat ChEMBL 0 » -1
9.21 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization