Molecule ID: mol57

SMILES: CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1CC

InChI: InChI=1S/C47H79NO16/c1-13-32-43(57-12)39(53)27(6)60-45(32)58-23-31-19-24(3)15-16-33(50)25(4)20-30(17-18-49)41(26(5)34(51)21-36(52)62-35(31)14-2)64-46-40(54)38(48(10)11)42(28(7)61-46)63-37-22-47(9,56)44(55)29(8)59-37/h15-16,18-19,25-32,34-35,37-46,51,53-56H,13-14,17,20-23H2,1-12H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.73 Settimo 1 » 0
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Charge States and Microspecies Visualization