Summary
| Name: | N-ACETYL-O-METHYL-D-GLUCOSAMINE |
| Synonyms: | 1NA |
| Formula: | C9 H17 N O6 |
| Formal charge: | 0 |
| Formula weight: | 235.234 Da |
| Component type: | SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(O)C(O)C(OC1OC)CO)C |
| InChI | InChI | 1.02b | InChI=1/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1/f/h10H |
| InChIKey | InChI | 1.02b | ZEVOCXOZYFLVKN-XFMOIPCLDG |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |
| SMILES | CACTVS | 3.341 | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(OC1OC)CO)O)O |
