Analyte Name

Bisphenol AP Mono-beta-D-glucuronide sodium

Molecular Formula

C26 H25 O8 . Na

Molecular Weight

488.47

Accurate Mass

488.14

SMILES

O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=CC=C(C=C2)C(C3=CC=C(O)C=C3)(C4=CC=CC=C4)C)O[C@@H]1C(O[Na])=O

InChI

InChI=1S/C26H26O8/c1-26(15-5-3-2-4-6-15,16-7-11-18(27)12-8-16)17-9-13-19(14-10-17)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h2-14,20-23,25,27-30H,1H3,(H,31,32)/t20-,21-,22+,23-,25+,26?/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenoxy]oxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Contaminant

Product Format

Neat