Analyte Name

(S)-3-[((2-hydroxy-1-(hydroxymethyl)ethyl)amino]carbonyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodobenzoic Acid

CAS Number

87932-11-4

Molecular Formula

C14 H15 I3 N2 O7

Molecular Weight

703.99

Accurate Mass

703.8013

SMILES

C[C@H](O)C(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NC(CO)CO)c1I

InChI

InChI=1S/C14H15I3N2O7/c1-4(22)12(23)19-11-9(16)6(13(24)18-5(2-20)3-21)8(15)7(10(11)17)14(25)26/h4-5,20-22H,2-3H2,1H3,(H,18,24)(H,19,23)(H,25,26)/t4-/m0/s1

IUPAC

3-(1,3-dihydroxypropan-2-ylcarbamoyl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat