Nicotinamide Riboside-d4 Triflate (d3-Major) alpha/beta mixture

Analyte Name

Nicotinamide Riboside-d4 Triflate (a/b mixture)

Molecular Formula

C12 H12 D3 F3 N2 O8 S

Molecular Weight

407.33

Accurate Mass

408.08

SMILES

FC(F)(S(=O)([O-])=O)F.O[C@@H]1[C@@H]([C@H](O[C@H]1[N+]2=C([H])C(C(N)=O)=C(C([2H])=C2[2H])[2H])CO)O

InChI

InChI=1S/C11H14N2O5.CHF3O3S/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11;2-1(3,4)8(5,6)7/h1-4,7-9,11,14-16H,5H2,(H-,12,17);(H,5,6,7)/t7-,8-,9-,11-;/m1./s1/i1D,2D,3D,4D;

IUPAC

3-carbamoyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium-2,4,5,6-d4 trifluoromethanesulfonate

Unlabelled CAS Number

445489-49-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat

Impurity Type

Intermediate