O6-(2-Hydroxyethyl-d4)-2'-deoxyguanosine

Analyte Name

O6-(2-Hydroxyethyl-d4)-2'-deoxyguanosine

Molecular Formula

C12 D4 H13 N5 O5

Molecular Weight

315.318

Accurate Mass

315.148

SMILES

[2H]C([2H])(O)C([2H])([2H])Oc1nc(N)nc2c1ncn2[C@H]3C[C@H](O)[C@@H](CO)O3

InChI

InChI=1S/C12H17N5O5/c13-12-15-10-9(11(16-12)21-2-1-18)14-5-17(10)8-3-6(20)7(4-19)22-8/h5-8,18-20H,1-4H2,(H2,13,15,16)/t6-,7+,8+/m0/s1/i1D2,2D2

IUPAC

(2R,3S,5R)-5-[2-amino-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Unlabelled CAS Number

111447-35-9

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat