0A6
Summary
| Name: | (3R)-4-ethoxy-3-hydroxy-4-oxobutanoic acid |
| Formula: | C6 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 162.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-4-ethoxy-3-hydroxy-4-oxobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R)-4-ethoxy-3-hydroxy-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(O)C(=O)OCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)[C@H](O)CC(O)=O |
| SMILES | CACTVS | 3.341 | CCOC(=O)[CH](O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)[C@@H](CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C(CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O5/c1-2-11-6(10)4(7)3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | FHHFKGGCXNOIAY-SCSAIBSYSA-N |
