SN5
Summary
| Name: | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose |
| Synonyms: | N-ethanethioyl-beta-D-glucosamine 2-deoxy-2-(ethanethioylamino)-beta-D-glucose; 2-deoxy-2-(ethanethioylamino)-D-glucose; 2-deoxy-2-(ethanethioylamino)-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 | 10.04 | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.6.1 | N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C(NC1C(O)C(O)C(OC1O)CO)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=S)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.352 | CC(=S)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=S)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=S)NC1C(C(C(OC1O)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO5S/c1-3(15)9-5-7(12)6(11)4(2-10)14-8(5)13/h4-8,10-13H,2H2,1H3,(H,9,15)/t4-,5-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | BIHKKHHUWVSGSD-FMDGEEDCSA-N |
