BG8
Summary
| Name: | 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose |
| Synonyms: | N-benzoyl-beta-D-glucosamine 2-(benzoylamino)-2-deoxy-beta-D-glucose; 2-(benzoylamino)-2-deoxy-D-glucose; 2-(benzoylamino)-2-deoxy-glucose |
| Formula: | C13 H17 N O6 |
| Formal charge: | 0 |
| Formula weight: | 283.277 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.9.2 | N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(C(NC(c1ccccc1)=O)C(OC(C2O)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | VSGKVJPCJOJUBP-VDWIVTDKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](O)[C@H](NC(=O)c2ccccc2)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](NC(=O)c2ccccc2)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)NC2C(C(C(OC2O)CO)O)O |
