HT0
Summary
| Name: | (4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid |
| Formula: | C10 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 223.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (4~{R},5~{R})-5-(4-hydroxyphenyl)-2-oxidanylidene-1,3-oxazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NC(=O)OC1c1ccc(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO5/c12-6-3-1-5(2-4-6)8-7(9(13)14)11-10(15)16-8/h1-4,7-8,12H,(H,11,15)(H,13,14)/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | KNMHHKNPRPEAIG-HTQZYQBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1NC(=O)O[C@@H]1c2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1NC(=O)O[CH]1c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@H]2[C@@H](NC(=O)O2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2C(NC(=O)O2)C(=O)O)O |
