0YT
Summary
| Name: | 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose |
| Synonyms: | 2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose 2-acetamido-2-deoxy-5-thio-beta-D-glucose; 2-acetamido-2-deoxy-5-thio-D-glucose; 2-acetamido-2-deoxy-5-thio-glucose |
| Formula: | C8 H15 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 237.273 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)thian-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1C(O)C(O)C(SC1O)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | DYCCLPFFILCZGU-FMDGEEDCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@H]1[C@H](O)S[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | CC(=O)N[CH]1[CH](O)S[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)NC1C(C(C(SC1O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC1C(C(C(SC1O)CO)O)O |
