Analyte Name

10-Formyl-5,6,7,8-tetrahydro Folic Acid Disodium Salt-13C6

Molecular Formula

13C6 C14 H21 N7 Na2 O7

Molecular Weight

523.359

Accurate Mass

523.15

SMILES

NC1=NC(=O)C2=C(NCC(CN(C=O)[13c]3[13cH][13cH][13c]([13cH][13cH]3)C(=O)N[C@@H](CCC(=O)O[Na])C(=O)O[Na])N2)N1

InChI

InChI=1S/C20H23N7O7.2Na/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30;;/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32);;/q;2*+1/p-2/t11?,13-;;/m0../s1/i1+1,2+1,3+1,4+1,10+1,12+1;;

IUPAC

[(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-formylamino](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbonyl]amino]-5-oxo-5-sodiooxypentanoyl]oxysodium

Unlabelled CAS Number

2800-34-2

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat