(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]oxane-2-carboxylic acid (CHEM331877)
| Record Information | ||||||||||
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| Version | 1.0 | |||||||||
| Creation Date | 2026-08-30 18:16:12 UTC | |||||||||
| Update Date | 2026-08-30 18:16:12 UTC | |||||||||
| Accession Number | CHEM331877 | |||||||||
| Identification | ||||||||||
| Common Name | (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]oxane-2-carboxylic acid | |||||||||
| Class | Small Molecule | |||||||||
| Description | (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]oxane-2-carboxylic acid is a chemical compound with the formula C23H26F3NO7. It has an average molecular weight of 485.40 g/mol. | |||||||||
| Contaminant Sources | Not Available | |||||||||
| Contaminant Type | Not Available | |||||||||
| Chemical Structure |  | |||||||||
| Synonyms | Not Available | |||||||||
| Chemical Formula | C23H26F3NO7 | |||||||||
| Average Molecular Mass | Not Available | |||||||||
| Monoisotopic Mass | 485.166 g/mol | |||||||||
| CAS Registry Number | 96735-71-6 | |||||||||
| IUPAC Name | (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]oxane-2-carboxylic acid | |||||||||
| Traditional Name | Not Available | |||||||||
| SMILES | CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C3C(C(C(C(O3)C(=O)O)O)O)O | |||||||||
| InChI Identifier | InChI=1S/C23H26F3NO7/c1-27(21-19(30)17(28)18(29)20(34-21)22(31)32)12-11-16(13-5-3-2-4-6-13)33-15-9-7-14(8-10-15)23(24,25)26/h2-10,16-21,28-30H,11-12H2,1H3,(H,31,32)/t16?,17-,18-,19+,20-,21+/m0/s1 | |||||||||
| InChI Key | ROQAUFRWFXOLOE-FEKBJPIOSA-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 | |||||||||
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| Applications | Not Available | |||||||||
| Biological Roles | Not Available | |||||||||
| Chemical Roles | Not Available | |||||||||
| Physical Properties | ||||||||||
| State | Not Available | |||||||||
| Appearance | Not Available | |||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | |||||||||
| Spectra | ||||||||||
| Spectra |
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| 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 | ||||||||||
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| Identifiers | Not Available | |||||||||
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| Synthesis Reference | Not Available | |||||||||
| MSDS | Not Available | |||||||||
| General References | Not Available | |||||||||
