Analyte Name

2'-Hydroxy 5'-O-DMT 3'-O-Succinate N-(2-phenoxyacetyl)-Adenosine Potassium

Molecular Formula

C43 H40 K N5 O11

Molecular Weight

841.24

Accurate Mass

841.92

SMILES

O=C(CCC(O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C23)NC(COC4=CC=CC=C4)=O)COC(C5=CC=C(C=C5)OC)(C6=CC=C(C=C6)OC)C7=CC=CC=C7)=O)[O-].[K+]

InChI

InChI=1S/C43H41N5O11.K/c1-54-30-17-13-28(14-18-30)43(27-9-5-3-6-10-27,29-15-19-31(55-2)20-16-29)57-23-33-39(59-36(52)22-21-35(50)51)38(53)42(58-33)48-26-46-37-40(44-25-45-41(37)48)47-34(49)24-56-32-11-7-4-8-12-32;/h3-20,25-26,33,38-39,42,53H,21-24H2,1-2H3,(H,50,51)(H,44,45,47,49);/q;+1/p-1/t33-,38-,39-,42-;/m1./s1

IUPAC

4-((2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-5-(6-(2-phenoxyacetamido)-9H-purin-9-yl)tetrahydrofuran-3-yl)oxy)-4-oxobutanoate potassium salt

Country of Origin

CANADA

Product Format

Neat