5FX
Summary
| Name: | 5-deoxy-5-fluoro-D-xylulose |
| Formula: | C5 H9 F O4 |
| Formal charge: | 0 |
| Formula weight: | 152.121 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-deoxy-5-fluoro-D-xylulose |
| OpenEye OEToolkits | 1.9.2 | (3S,4S)-5-fluoranyl-1,3,4-tris(oxidanyl)pentan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CO)C(O)C(O)CF |
| InChI | InChI | 1.03 | InChI=1S/C5H9FO4/c6-1-3(8)5(10)4(9)2-7/h3,5,7-8,10H,1-2H2/t3-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | DZPAPJMTQBXJAM-WUJLRWPWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC(=O)[C@@H](O)[C@H](O)CF |
| SMILES | CACTVS | 3.385 | OCC(=O)[CH](O)[CH](O)CF |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@H]([C@@H](C(=O)CO)O)O)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C(C(C(=O)CO)O)O)F |
