(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(4-methylbenzoyl)-6-nitrophenoxy]oxane-2-carboxylic acid (CHEM317360)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 20:57:36 UTC | ||||||||
| Update Date | 2026-08-29 20:57:36 UTC | ||||||||
| Accession Number | CHEM317360 | ||||||||
| Identification | |||||||||
| Common Name | (2s,3s,4s,5r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(4-methylbenzoyl)-6-nitrophenoxy]oxane-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s,3s,4s,5r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(4-methylbenzoyl)-6-nitrophenoxy]oxane-2-carboxylic acid is a chemical compound with the formula C20H19NO11. It has an average molecular weight of 449.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H19NO11 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 449.096 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s,3s,4s,5r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(4-methylbenzoyl)-6-nitrophenoxy]oxane-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)[N+](=O)[O-] | ||||||||
| InChI Identifier | InChI=1S/C20H19NO11/c1-8-2-4-9(5-3-8)13(23)10-6-11(21(29)30)17(12(22)7-10)31-20-16(26)14(24)15(25)18(32-20)19(27)28/h2-7,14-16,18,20,22,24-26H,1H3,(H,27,28)/t14-,15-,16+,18-,20?/m0/s1 | ||||||||
| InChI Key | GPCPARWMTQPHCE-VKODVYPMSA-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 | |||||||||
| 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 | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
