Description
Ochratoxin A-d5, .5MG
Product Code
TRC-O148492
CAS Number
666236-28-8
Product Format
Neat
Molecular Formula
C20 2H5 H13 Cl N O6
Molecular Weight
408.84
Product Categories
TRC, Mycotoxin Research and Reference Materials , Stable isotopes, Environmental Food Contaminant Reference Materials
Product Type
Stable Isotope Labelled, MetaboliteUnlabelled CAS Number
303-47-9
Product Data
Analyte Name
Ochratoxin A-d5
CAS Number
666236-28-8
Molecular Formula
C20 2H5 H13 Cl N O6
Molecular Weight
408.84
Accurate Mass
408.1136
SMILES
[2H]c1c([2H])c([2H])c(C[C@H](NC(=O)c2cc(Cl)c3C[C@@H](C)OC(=O)c3c2O)C(=O)O)c([2H])c1[2H]
InChI
InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1/i2D,3D,4D,5D,6D
IUPAC
(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Unlabelled CAS Number
303-47-9
SIL Type
Deuterium
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat