GAD
Summary
| Name: | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid |
| Formula: | C6 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 160.125 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid |
| OpenEye OEToolkits | 1.5.0 | (4S,5S)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C=1OCC(O)C(O)C=1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1COC(=C[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1COC(=C[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C=C(O1)C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | GQECVRZDTXJRPX-IMJSIDKUSA-N |
