BWG
Summary
| Name: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine |
| Synonyms: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannosylamine N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-D-mannosylamine; N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-mannosylamine |
| Formula: | C11 H16 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 304.32 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine |
| OpenEye OEToolkits | 1.7.6 | 1-[2-[[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1C(CO)C(O)C(O)C(O)C1Nc2ncc(s2)C(O)C |
| InChI | InChI | 1.03 | InChI=1S/C11H18N2O6S/c1-4(15)6-2-12-11(20-6)13-10-9(18)8(17)7(16)5(3-14)19-10/h2,4-5,7-10,14-18H,3H2,1H3,(H,12,13)/t4-,5-,7-,8+,9+,10+/m1/s1 |
| InChIKey | InChI | 1.03 | VVRCICGIWCXPFT-ZMLRDBKSSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)c1sc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nc1 |
| SMILES | CACTVS | 3.370 | CC(=O)c1sc(N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cnc(s1)NC2C(C(C(C(O2)CO)O)O)O |
