Analyte Name

Bisphenol A (Dimethyl-d3) Bis-(beta-D-glucuronide)

Molecular Formula

C27 D6 H26 O14

Molecular Weight

586.572

Accurate Mass

586.217

SMILES

[2H]C([2H])([2H])C(c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc1)(c3ccc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc3)C([2H])([2H])[2H]

InChI

InChI=1S/C27H32O14/c1-27(2,11-3-7-13(8-4-11)38-25-19(32)15(28)17(30)21(40-25)23(34)35)12-5-9-14(10-6-12)39-26-20(33)16(29)18(31)22(41-26)24(36)37/h3-10,15-22,25-26,28-33H,1-2H3,(H,34,35)(H,36,37)/t15-,16-,17-,18-,19+,20+,21-,22-,25+,26+/m0/s1/i1D3,2D3

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-1,1,1,3,3,3-hexadeuteriopropan-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat