Analyte Name

4-(((2R,3S,4R,5R)-5-(6-amino-8-((3,4-dichlorophenyl)methylamino)purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-dideuteriomethyl)-2,3,5,6-tetradeuteriobenzonitrile

Molecular Formula

C25 D6 H17 Cl2 N7 O4

Molecular Weight

562.438

Accurate Mass

561.157

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1C#N)C([2H])([2H])OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3c(NCc4ccc(Cl)c(Cl)c4)nc5c(N)ncnc35

InChI

InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1/i1D,2D,3D,4D,10D2

IUPAC

4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-dideuteriomethyl]-2,3,5,6-tetradeuteriobenzonitrile

Unlabelled CAS Number

1134156-31-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat