| CAS Number | 255818-98-5 |
| Catalog Number | AG007MPS(AGN-PC-0R1DD5) |
| Chemical Name | 1-Thio-β-D-glucose sodium salt hydrate |
| IUPAC Name | sodium;(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate;hydrate |
| InChI | InChI=1S/C6H12O5S.Na.H2O/c7-1-2-3(8)4(9)5(10)6(12)11-2;;/h2-10,12H,1H2;;1H2/q;+1;/p-1/t2-,3-,4+,5-,6+;;/m1../s1 |
| InChI Key | FOVTYEYRNBRYMM-UZUGEDCSSA-M |
| MDL Number | MFCD00799594 |
| Molecular Formula | C6H13NaO6S |
| Molecular Weight | 236.2186 |
| SMILES | [S-][C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O.[H]O[H].[Na+] |
| Synonyms | 255818-98-5,
b-D-Thioglucose sodium salt hydrate,
1-Thio-|A-D-glucose sodium salt hydrate,
1-Thio-beta-D-glucose sodium salt hydrate,
CTK8F0909,
AKOS030231097,
1-Thio-?-D-glucose sodium salt hydrate,
1-Thio-|A-D-glucose Sodium Salt Dihydrate,
RT-006440,
W-202082,
Beta-D-thioglucose sodium salt hydrate,
1-THIO-D-GLUCOSE,SODIUMSALTHYDRATE,
10593-29-0,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.214g/mol |
| Monoisotopic Mass | 236.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number