295
Summary
| Name: | (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid |
| Formula: | C9 H9 F O4 |
| Formal charge: | 0 |
| Formula weight: | 200.164 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc1ccc(cc1)C(O)C(O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]([C@@H](O)c1ccc(F)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]([CH](O)c1ccc(F)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(C(C(=O)O)O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | DWYLYIVEFVSGCP-YUMQZZPRSA-N |
