6C2
Summary
| Name: | methyl 2-acetamido-2-deoxy-beta-D-glucopyranosiduronic acid |
| Synonyms: | methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosiduronic acid methyl 2-acetamido-2-deoxy-beta-D-glucosiduronic acid; methyl 2-acetamido-2-deoxy-D-glucosiduronic acid; methyl 2-acetamido-2-deoxy-glucosiduronic acid |
| Formula: | C9 H15 N O7 |
| Formal charge: | 0 |
| Formula weight: | 249.218 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosiduronic acid |
| OpenEye OEToolkits | 1.9.2 | (2S,3S,4R,5R,6R)-5-acetamido-6-methoxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(OC(C(C1O)NC(=O)C)OC)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO7/c1-3(11)10-4-5(12)6(13)7(8(14)15)17-9(4)16-2/h4-7,9,12-13H,1-2H3,(H,10,11)(H,14,15)/t4-,5-,6+,7+,9-/m1/s1 |
| InChIKey | InChI | 1.03 | HPXHVBAASZCSSR-CRYJZLASSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH]([CH](O)[CH](O)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)NC1C(C(C(OC1OC)C(=O)O)O)O |
