(2s,3s,4s,5r)-6-[3-chloro-5-fluoro-4-(5-methyl-2-oxo-3h-indol-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEM321878)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 04:00:30 UTC | ||||||||
| Update Date | 2026-08-30 04:00:30 UTC | ||||||||
| Accession Number | CHEM321878 | ||||||||
| Identification | |||||||||
| Common Name | (2s,3s,4s,5r)-6-[3-chloro-5-fluoro-4-(5-methyl-2-oxo-3h-indol-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s,3s,4s,5r)-6-[3-chloro-5-fluoro-4-(5-methyl-2-oxo-3h-indol-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a chemical compound with the formula C21H19ClFNO8. It has an average molecular weight of 467.80 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H19ClFNO8 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 467.078 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s,3s,4s,5r)-6-[3-chloro-5-fluoro-4-(5-methyl-2-oxo-3h-indol-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC2=C(C=C1)N(C(=O)C2)C3=C(C=C(C=C3Cl)OC4C(C(C(C(O4)C(=O)O)O)O)O)F | ||||||||
| InChI Identifier | InChI=1S/C21H19ClFNO8/c1-8-2-3-13-9(4-8)5-14(25)24(13)15-11(22)6-10(7-12(15)23)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h2-4,6-7,16-19,21,26-28H,5H2,1H3,(H,29,30)/t16-,17-,18+,19-,21?/m0/s1 | ||||||||
| InChI Key | SETAFJOLASRPRK-DAZJWRSOSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
