NA1
Summary
| Name: | 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose |
| Synonyms: | METHYL N-ACETYL ALLOSAMINE 2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE; 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allose; 2-acetamido-2-deoxy-6-O-methyl-D-allose; 2-acetamido-2-deoxy-6-O-methyl-allose |
| Formula: | C9 H17 N O6 |
| Formal charge: | 0 |
| Formula weight: | 235.234 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(acetylamino)-2-deoxy-6-O-methyl-alpha-D-allopyranose |
| OpenEye OEToolkits | 1.5.0 | N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(methoxymethyl)oxan-3-yl]ethanamide |
| PDB-CARE | 1.0 | a-D-AllpNAc6OMe |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(O)C(O)C(OC1O)COC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COC[C@H]1O[C@H](O)[C@H](NC(C)=O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | COC[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O)COC)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(OC1O)COC)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO6/c1-4(11)10-6-8(13)7(12)5(3-15-2)16-9(6)14/h5-9,12-14H,3H2,1-2H3,(H,10,11)/t5-,6-,7-,8+,9?/m1/s1 |
| InChIKey | InChI | 1.03 | KDTVUHXJRZVEIF-NBTWYFBKSA-N |
