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.: C6H11NaO5S M.W.: 218.2 CAS: 10593-29-0
Items
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Standards
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Results
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Appearance
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White powder
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Complies
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Solubility
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Easily soluble in water, insoluble in CHCl3
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Complies
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NMR and MS
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Should comply
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Complies
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Identification
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IR and HPLC
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Complies
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Heavy metal
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Max.50ppm
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Complies
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TLC
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Should be one spot
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One spot
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Assay by NMR
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Min. 98%
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Complies
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References:
1. Fleet G, et al., Biochemistry 1994, 33, 5745-5758