| CAS Number | 122331-70-8 |
| Catalog Number | AG009F90(AGN-PC-0PG1TK) |
| Chemical Name | Ethyl 2-Acetamido-2-deoxy-b-D-thioglucopyranoside |
| IUPAC Name | N-[(2S,3R,4R,5S,6R)-2-ethylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| InChI | InChI=1S/C10H19NO5S/c1-3-17-10-7(11-5(2)13)9(15)8(14)6(4-12)16-10/h6-10,12,14-15H,3-4H2,1-2H3,(H,11,13)/t6-,7-,8-,9-,10+/m1/s1 |
| InChI Key | GLDKHCZSFYJVMF-IGORNWKESA-N |
| MDL Number | MFCD18643045 |
| Molecular Formula | C10H19NO5S |
| Molecular Weight | 265.3266 |
| SMILES | CCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C |
| Synonyms | FT-0668130,
122331-70-8,
Ethyl 2-Acetamido-2-deoxy-|A-D-thioglucopyranoside,
DTXSID10446935,
ZINC77292259,
Ethyl 2-(Acetylamino)-2-deoxy-1-thio-|A-D-glucopyranoside,
CID10879994,
Ethyl 2-acetamido-1,2-dideoxy-1-thio-.beta.-d-glucopyranoside,
2-MERCAPTOETHYL 2-(ACETYLAMINO)-2-DEOXY-BETA-D-GALACTOPYRANOSIDE,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.324g/mol |
| Monoisotopic Mass | 265.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number