Sodium(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-thiolate

1-Thio-?-D-glucose sodium salt 1-thio-?-D-Glucose is an analog of ?-D-glucose in which sulfur replaces the hydroxyl group at the one position. The thiol group allows diverse chemical reactions, including click chemistry and polymerization. 1-thio-?-D-Glucose can be labeled with technetium-99m for analytical and diagnostic procedures. It can also be used as a substrate for glucose oxidase, which leads to the production of 1-thio-?-D-gluconic acid. CAS Number 10593-29-0 Product Name Sodium (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-thiolate IUPAC Name sodium;(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate Molecular Formula C6H11NaO5S Molecular Weight 218.2 g/mol InChI InChI=1S/C6H12O5S.Na/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3-,4+,5-,6+;/m1./s1 InChI Key VKPBZIVFRYLHPT-WNFIKIDCSA-M SMILES C(C1C(C(C(C(O1)[S-])O)O)O)O.[Na+] Synonyms 1-thio-beta-D-glucose, 1-thioglucose, 1-thioglucose, (D)-isomer, 1-thioglucose, sodium salt, beta-D-thioglucose, sodium thioglucse Canonical SMILES C(C1C(C(C(C(O1)[S-])O)O)O)O.[Na+] Isomeric SMILES C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])O)O)O)O.[Na+] COA: Product name: Beta-D-Thioglucose sodium salt M.F. : C 6 H 11 NaO 5 S M.W. : 218.2 CAS : 10593-29-0 Items Standards Results Appearance White powder Complies Solubility Easily soluble in water, insoluble in CHCl 3 Complies NMR and MS Should comply Complies Identification IR and HPLC Complies Heavy metal Max.50ppm Complies TLC Should be one spot One spot Assay by NMR Min. 98% Complies References: 1. Fleet G, et al., Biochemistry 1994, 33, 5745-5758