FEK
Summary
Name: | (1~{S},2~{S},3~{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})-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-/m1/s1 |
InChIKey | InChI | 1.03 | GCEFMEUYUSFIFI-JRTVQGFMSA-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](C1O)F)O)O)CO |
SMILES | OpenEye OEToolkits | 2.0.6 | C1=C(C(C(C(C1O)F)O)O)CO |