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Product Overview

Product Code

TRC-S088164

CAS Number

1174218-98-4

Product Format

Neat

Molecular Formula

C13 D4 H12 O8

Molecular Weight

304.286

Product Categories

TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

10366-91-3

Documentation

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Product Information

Chemical Data

Analyte Name

Salicylic Acid 2-O-beta-D-Glucoside-D4

CAS Number

1174218-98-4

Molecular Formula

C13 D4 H12 O8

Molecular Weight

304.286

Accurate Mass

304.11

SMILES

[2H]c1c([2H])c([2H])c(C(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1[2H]

InChI

InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1/i1D,2D,3D,4D

IUPAC

2,3,4,5-tetradeuterio-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid

Unlabelled CAS Number

10366-91-3

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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