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 |