6BG
Summary
| Name: | 6-bromo-6-deoxy-beta-D-glucopyranose |
| Synonyms: | 6-bromo-6-deoxy-beta-D-glucose 6-bromo-6-deoxy-D-glucose; 6-bromo-6-deoxy-glucose |
| Formula: | C6 H11 Br O5 |
| Formal charge: | 0 |
| Formula weight: | 243.053 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-6-deoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | (2R,3R,4S,5S,6S)-6-(bromomethyl)oxane-2,3,4,5-tetrol |
| PDB-CARE | 1.0 | b-D-Glcp6bromo |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | BrCC1OC(O)C(O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C6H11BrO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | HMQFPHZJIMIFTL-VFUOTHLCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1O[C@H](CBr)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.370 | O[CH]1O[CH](CBr)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C(O1)O)O)O)O)Br |
