Bisphenol S Bis-b-d-Glucuronide

Product Specifications

Synonyms

(2S,2'S,3S,3'S,4S,4'S,5R,5'R,6S,6'S)-6,6'-((Sulfonylbis(4,1-phenylene))bis(oxy))bis(3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid)

Hazard Statement

Suspected of damaging fertility or the unborn child

Purity

>95% (HPLC)

Smiles

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)S(=O)(=O)c3ccc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc3)O[C@@H]([C@H]1O)C(=O)O

Molecular Formula

C24 H26 O16 S

Molecular Weight

602.519

InChI

InChI=1S/C24H26O16S/c25-13-15(27)19(21(31)32)39-23(17(13)29)37-9-1-5-11(6-2-9)41(35,36)12-7-3-10(4-8-12)38-24-18(30)14(26)16(28)20(40-24)22(33)34/h1-8,13-20,23-30H,(H,31,32)(H,33,34)/t13-,14-,15-,16-,17+,18+,19-,20-,23+,24+/m0/s1

Additionnal Information

IUPAC name: (2S,3S,4S,5R,6S)-6-[4-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]sulfonylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid