9WJ
Summary
| Name: | 4-acetamido-4,6-dideoxy-beta-D-mannopyranose |
| Synonyms: | 4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose 4-(acetylamino)-4-deoxy-beta-D-rhamnopyranose; 4-acetamido-4,6-dideoxy-beta-D-mannose; 4-acetamido-4,6-dideoxy-D-mannose; 4-acetamido-4,6-dideoxy-mannose |
| Formula: | C8 H15 N O5 |
| Formal charge: | 0 |
| Formula weight: | 205.208 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(2~{R},3~{S},4~{S},5~{S},6~{R})-2-methyl-4,5,6-tris(oxidanyl)oxan-3-yl]ethanamide |
| GMML | 1.0 | DRhap[4NAc]b |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(C(OC(C1NC(=O)C)C)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | LMIZXKMXHCOVTQ-NDBSEGGWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(C(C(C(O1)O)O)O)NC(=O)C |
