5-(Methyl-d3)tetrahydrofolic Acid Calcium Salt (Mixture of Diastereomers)

Analyte Name

5-(Methyl-d3)tetrahydrofolic acid calcium salt (mixture of diastereomers)

Molecular Formula

C20 D3 H20 N7 O6 . Ca

Molecular Weight

500.54

Accurate Mass

500.1524

SMILES

[Ca+2].[2H]C([2H])([2H])N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CNC3=C1C(=O)N=C(N)N3

InChI

InChI=1S/C20H25N7O6.Ca/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/q;+2/p-2/t12?,13-;/m0./s1/i1D3;

IUPAC

calcium;(2S)-2-[[4-[[2-amino-4-oxo-5-(trideuteriomethyl)-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate

Unlabelled CAS Number

26560-38-3

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Folic Acid

Purity

>95% (HPLC)