(2s,3s,4s,5r,6s)-6-[5-[3-[3-amino-4-fluoro-1-(1-oxidopyridin-1-ium-4-yl)isoindol-1-yl]phenyl]imidazol-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEM343653)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 11:34:14 UTC | ||||||||
| Update Date | 2026-08-31 11:34:14 UTC | ||||||||
| Accession Number | CHEM343653 | ||||||||
| Identification | |||||||||
| Common Name | (2s,3s,4s,5r,6s)-6-[5-[3-[3-amino-4-fluoro-1-(1-oxidopyridin-1-ium-4-yl)isoindol-1-yl]phenyl]imidazol-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s,3s,4s,5r,6s)-6-[5-[3-[3-amino-4-fluoro-1-(1-oxidopyridin-1-ium-4-yl)isoindol-1-yl]phenyl]imidazol-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is a chemical compound with the formula C28H24FN5O8. With an average molecular weight of 577.50 g/mol, (2s,3s,4s,5r,6s)-6-[5-[3-[3-amino-4-fluoro-1-(1-oxidopyridin-1-ium-4-yl)isoindol-1-yl]phenyl]imidazol-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H24FN5O8 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 577.161 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s,3s,4s,5r,6s)-6-[5-[3-[3-amino-4-fluoro-1-(1-oxidopyridin-1-ium-4-yl)isoindol-1-yl]phenyl]imidazol-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=[N+](C=C4)[O-])C5=CN=CN5OC6C(C(C(C(O6)C(=O)O)O)O)O | ||||||||
| InChI Identifier | InChI=1S/C28H24FN5O8/c29-18-6-2-5-17-20(18)25(30)32-28(17,15-7-9-33(40)10-8-15)16-4-1-3-14(11-16)19-12-31-13-34(19)42-27-23(37)21(35)22(36)24(41-27)26(38)39/h1-13,21-24,27,35-37H,(H2,30,32)(H,38,39)/t21-,22-,23+,24-,27-,28?/m0/s1 | ||||||||
| InChI Key | FICYWWKNRYXKJS-BCXLBXEJSA-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 | ||||||||
