Analyte Name

(6S)-Tetrahydrofolic Acid Dimethyl Ester p-Toluenesulfonate Salt

CAS Number

319919-91-0

Molecular Formula

C21H27N7O6 • C7H8O3S

Molecular Weight

645.68

Accurate Mass

645.22

SMILES

O=C1C2=C(NC[C@H](CNC3=CC=C(C(N[C@@H](CCC(OC)=O)C(OC)=O)=O)C=C3)N2)NC(N)=N1.OS(C4=CC=C(C)C=C4)(=O)=O

InChI

InChI=1S/C21H27N7O6.C7H8O3S/c1-33-15(29)8-7-14(20(32)34-2)26-18(30)11-3-5-12(6-4-11)23-9-13-10-24-17-16(25-13)19(31)28-21(22)27-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,13-14,23,25H,7-10H2,1-2H3,(H,26,30)(H4,22,24,27,28,31);2-5H,1H3,(H,8,9,10)/t13-,14-;/m0./s1

IUPAC

dimethyl (4-((((S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamate 4-methylbenzenesulfonate

Alternate CAS Number

Free Base: 319919-67-0

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat