Beta-Nicotinamide-d4 Mononucleotide (d4-major)

Analyte Name

Beta-Nicotinamide-d4 Mononucleotide (d4-major)

Molecular Formula

C11 D4 H11 N2 O8 P

Molecular Weight

338.244

Accurate Mass

338.0817

SMILES

[2H]c1c([2H])c(C(=O)N)c([2H])[n+]([C@@H]2O[C@H](COP(=O)(O)[O-])[C@@H](O)[C@H]2O)c1[2H]

InChI

InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1/i1D,2D,3D,4D

IUPAC

[(2R,3S,4R,5R)-5-(3-carbamoyl-2,4,5,6-tetradeuterio-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

Unlabelled CAS Number

1094-61-7

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Dry Pack

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat

Impurity Type

Intermediate

Purity

>95% (HPLC)

Analytical Method

NMR, HPLC, MS