(2s,3r,4r,5s,6r)-2-[3-[[4-[[(1r,5s)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEM272987)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-26 16:54:43 UTC | ||||||||
| Update Date | 2026-08-26 16:54:43 UTC | ||||||||
| Accession Number | CHEM272987 | ||||||||
| Identification | |||||||||
| Common Name | (2s,3r,4r,5s,6r)-2-[3-[[4-[[(1r,5s)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s,3r,4r,5s,6r)-2-[3-[[4-[[(1r,5s)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is a chemical compound with the formula C50H58Cl2O12. With an average molecular weight of 921.90 g/mol, (2s,3r,4r,5s,6r)-2-[3-[[4-[[(1r,5s)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C50H58Cl2O12 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 920.331 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s,3r,4r,5s,6r)-2-[3-[[4-[[(1r,5s)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1C2C1CC(C2)OC3=CC=C(C=C3)CC4=C(C=CC(=C4)C5C(C(C(C(O5)CO)O)O)O)Cl.C1C2C1CC(C2)OC3=CC=C(C=C3)CC4=C(C=CC(=C4)C5C(C(C(C(O5)CO)O)O)O)Cl | ||||||||
| InChI Identifier | InChI=1S/2C25H29ClO6/c2*26-20-6-3-14(25-24(30)23(29)22(28)21(12-27)32-25)8-17(20)7-13-1-4-18(5-2-13)31-19-10-15-9-16(15)11-19/h2*1-6,8,15-16,19,21-25,27-30H,7,9-12H2/t2*15-,16+,19?,21-,22-,23+,24-,25+/m11/s1 | ||||||||
| InChI Key | WNBJEBIIUQNASP-WXKYAYIDSA-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 | ||||||||
