Molecule ID: mol8213

SMILES: CC(=O)OC[C@H]1O[C@@H](n2c(=O)c(C)nc3cnc(N(C)C)nc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChI: InChI=1S/C23H29N5O10/c1-10-21(33)28(20-15(25-10)8-24-23(26-20)27(6)7)22-19(37-14(5)32)18(36-13(4)31)17(35-12(3)30)16(38-22)9-34-11(2)29/h8,16-19,22H,9H2,1-7H3/t16-,17-,18+,19-,22-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.68 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization