[(2r,3s,5r)-5-(2,6-dichloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate (CHEM339803)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 05:32:12 UTC | ||||||||
| Update Date | 2026-08-31 05:32:12 UTC | ||||||||
| Accession Number | CHEM339803 | ||||||||
| Identification | |||||||||
| Common Name | [(2r,3s,5r)-5-(2,6-dichloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [(2r,3s,5r)-5-(2,6-dichloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate is a chemical compound with the formula C26H22Cl2N4O5. With an average molecular weight of 541.40 g/mol, [(2r,3s,5r)-5-(2,6-dichloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C26H22Cl2N4O5 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 540.097 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [(2r,3s,5r)-5-(2,6-dichloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)Cl)OC(=O)C5=CC=C(C=C5)C | ||||||||
| InChI Identifier | InChI=1S/C26H22Cl2N4O5/c1-14-3-7-16(8-4-14)24(33)35-12-19-18(37-25(34)17-9-5-15(2)6-10-17)11-20(36-19)32-13-29-21-22(27)30-26(28)31-23(21)32/h3-10,13,18-20H,11-12H2,1-2H3/t18-,19+,20+/m0/s1 | ||||||||
| InChI Key | GITNWEFFGFSPFZ-XUVXKRRUSA-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 |
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| Predicted Properties | Not Available | ||||||||
| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
