0AI
Summary
| Name: | methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranosiduronic acid |
| Formula: | C9 H15 N O7 |
| Formal charge: | 0 |
| Formula weight: | 249.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranosiduronic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-methoxy-oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1OC(OC)C(NC(=O)C)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CO[CH]1O[CH]([CH](O)[CH](O)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(OC1OC)C(=O)O)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-LVAAGULDSA-N |
