3,3’,5-Triiodo-L-thyronine-13C6 O-b-D-Glucuronide Sodium Salt

Analyte Name

3,3',5-Triiodo-L-thyronine-13C6 O-b-D-Glucuronide Sodium Salt

Molecular Formula

13C6 C15 H20 I3 N O10

Molecular Weight

833.053

Accurate Mass

832.842

SMILES

N[C@@H](Cc1cc(I)c(O[13c]2[13cH][13cH][13c](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)[13c](I)[13cH]2)c(I)c1)C(=O)O

InChI

InChI=1S/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)/t12-,14-,15-,16+,18-,21+/m0/s1/i1+1,2+1,6+1,8+1,9+1,13+1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2-iodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat