FH2
Summary
| Name: | (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol |
| Formula: | C7 H11 F O4 |
| Formal charge: | 0 |
| Formula weight: | 178.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H11FO4/c8-5-4(10)1-3(2-9)6(11)7(5)12/h1,4-7,9-12H,2H2/t4-,5-,6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | GCEFMEUYUSFIFI-ZTYPAOSTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1=C[C@H](O)[C@H](F)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OCC1=C[CH](O)[CH](F)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=C(C(C(C(C1O)F)O)O)CO |
