| CAS Number | 130263-77-3 |
| Catalog Number | AG0071BB(AGN-PC-0PJ6RR) |
| Chemical Name | 2-Mercaptoethyl β-D-glucopyranoside |
| IUPAC Name | (3S,5S,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol |
| InChI | InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4?,5-,6?,7+,8-/m1/s1 |
| InChI Key | HUYFGRHVKQZODJ-OAIINSLMSA-N |
| MDL Number | MFCD09840866 |
| Molecular Formula | C8H16O6S |
| Molecular Weight | 240.2740 |
| SMILES | O(CCS)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Synonyms | 130263-77-3,
2-Mercaptoethyl beta-D-glucopyranoside,
SCHEMBL16900305,
CTK8F1375,
DTXSID90662070,
2-Mercaptoethyl |A-D-glucopyranoside,
2-Sulfanylethyl beta-D-threo-hexopyranoside,
RT-007867,
FT-0671088,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.27g/mol |
| Monoisotopic Mass | 240.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number