3'-Azido-3'-deoxythymidine-methyl-d3 Beta-D-glucuronide, Sodium Salt

Analyte Name

3'-Azido-3'-deoxythymidine-methyl-d3 b-D-glucuronide, Sodium Salt

Molecular Formula

C16 D3 H17 N5 O10 . Na

Molecular Weight

468.3658

Accurate Mass

468.1296

SMILES

[Na+].[2H]C([2H])([2H])C1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-])O2)C(=O)NC1=O

InChI

InChI=1S/C16H21N5O10.Na/c1-5-3-21(16(28)18-13(5)25)8-2-6(19-20-17)7(30-8)4-29-15-11(24)9(22)10(23)12(31-15)14(26)27;/h3,6-12,15,22-24H,2,4H2,1H3,(H,26,27)(H,18,25,28);/q;+1/p-1/t6-,7+,8+,9-,10-,11+,12-,15+;/m0./s1/i1D3;

IUPAC

sodium;(2S,3S,4S,5R,6R)-6-[[(2S,3S,5R)-3-azido-5-[2,4-dioxo-5-(trideuteriomethyl)pyrimidin-1-yl]oxolan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylate

Unlabelled CAS Number

133525-01-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)