B6D
Summary
| Name: | 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose |
| Synonyms: | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose 2,4-diacetamido-2,4,6-trideoxy-beta-D-glucopyranose; bacillosamine; 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucose; 2,4-bisacetamido-2,4,6-trideoxy-D-glucose; 2,4-bisacetamido-2,4,6-trideoxy-glucose |
| Formula: | C10 H18 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 246.26 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | N-[(2R,3R,4S,5S,6R)-5-acetamido-2,4-dihydroxy-6-methyl-oxan-3-yl]ethanamide |
| PDB-CARE | 1.0 | b-D-6-deoxy-GlcpNAc4NAc |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(C)=O |
| SMILES | CACTVS | 3.341 | C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(C(O1)O)NC(=O)C)O)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1 |
| InChIKey | InChI | 1.03 | NRXWTRNYICXMBF-DAJIKZSHSA-N |
