CR6
Summary
| Name: | 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE |
| Formula: | C9 H16 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 264.233 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R,4S,5S,6R)-2-(acetylamino)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4S,5S,6R)-2-acetamido-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1(OC(CO)C(O)C(O)C1O)C(=O)N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1(C(C(C(C(O1)CO)O)O)O)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O7/c1-3(13)11-9(8(10)17)7(16)6(15)5(14)4(2-12)18-9/h4-7,12,14-16H,2H2,1H3,(H2,10,17)(H,11,13)/t4-,5-,6+,7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | BUPVODXECQDZQR-YCOWOFQRSA-N |
