Bisphenol A-d6 Beta-D-Glucuronide
Product Code
TRC-B519512
CAS Number
Product Format
Neat
Molecular Formula
C21 2H6 H18 O8
Molecular Weight
410.45
API Family
Bisphenol AProduct Categories
TRC, Drug derivatives & metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards
Alternate CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Bisphenol A beta-D-Monoglucuronide dimethyl-d6
CAS Number
1610029-53-2
Molecular Formula
C21 2H6 H18 O8
Molecular Weight
410.45
Accurate Mass
410.1848
SMILES
[2H]C([2H])([2H])C(c1ccc(O)cc1)(c2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc2)C([2H])([2H])[2H]
InChI
InChI=1S/C21H24O8/c1-21(2,11-3-7-13(22)8-4-11)12-5-9-14(10-6-12)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-10,15-18,20,22-25H,1-2H3,(H,26,27)/t15-,16-,17+,18-,20+/m0/s1/i1D3,2D3
IUPAC
(2S,3S,4S,5R,6S)-6-[4-[1,1,1,3,3,3-hexadeuterio-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Alternate CAS Number
267244-08-6
SIL Type
Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
API Family