Analyte Name

5'-DMT DG(DMF) Succinate Potassium salt

Molecular Formula

C38 H39 K N6 O9

Molecular Weight

762.86

Accurate Mass

762.24

SMILES

[O-]C(CCC(O[C@H]1C[C@H](N2C3=C(C(N=C(N3)/N=C/N(C)C)=O)N=C2)O[C@@H]1COC(C4=CC=C(C=C4)OC)(C5=CC=C(C=C5)OC)C6=CC=CC=C6)=O)=O.[K+]

InChI

InChI=1S/C38H40N6O9.K/c1-43(2)22-40-37-41-35-34(36(48)42-37)39-23-44(35)31-20-29(53-33(47)19-18-32(45)46)30(52-31)21-51-38(24-8-6-5-7-9-24,25-10-14-27(49-3)15-11-25)26-12-16-28(50-4)17-13-26;/h5-17,22-23,29-31H,18-21H2,1-4H3,(H,45,46)(H,41,42,48);/q;+1/p-1/b40-22+;/t29-,30+,31+;/m0./s1

IUPAC

potassium 4-(((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2-(((E)-(dimethylamino)methylene)amino)-6-oxo-3,6-dihydro-9H-purin-9-yl)tetrahydrofuran-3-yl)oxy)-4-oxobutanoate

Alternate CAS Number

132509-64-9

Country of Origin

CANADA

Product Format

Neat