5'-DMT DG(PAC) Succinate Potassium Salt

Analyte Name

5'-DMT DG(PAC) Succinate Potassium Salt

Molecular Formula

C43H40KN5O10

Molecular Weight

825.92

Accurate Mass

825.24

SMILES

[O-]C(CCC(O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C6=C(N=C5)C(N=C(NC(CC7=CC=CC=C7)=O)N6)=O)=O)=O.[K+]

InChI

InChI=1S/C43H41N5O10.K/c1-54-31-17-13-29(14-18-31)43(28-11-7-4-8-12-28,30-15-19-32(55-2)20-16-30)56-25-34-33(58-38(52)22-21-37(50)51)24-36(57-34)48-26-44-39-40(48)46-42(47-41(39)53)45-35(49)23-27-9-5-3-6-10-27;/h3-20,26,33-34,36H,21-25H2,1-2H3,(H,50,51)(H2,45,46,47,49,53);/q;+1/p-1/t33-,34+,36+;/m0./s1

IUPAC

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

Alternate CAS Number

118533-24-7

Country of Origin

CANADA

Product Format

Neat