Tetragalacturonic acid hydroxymethylester (CHEM131941)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 19:28:47 UTC | ||||||||
| Update Date | 2026-05-14 19:35:19 UTC | ||||||||
| Accession Number | CHEM131941 | ||||||||
| Identification | |||||||||
| Common Name | Tetragalacturonic acid hydroxymethylester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H42O29 | ||||||||
| Average Molecular Mass | 842.615 g/mol | ||||||||
| Monoisotopic Mass | 842.181 g/mol | ||||||||
| CAS Registry Number | 53008-15-4 | ||||||||
| IUPAC Name | hydroxymethyl (2S,3R,4S,5R,6S)-6-{[(2S,3R,4R,5R,6S)-6-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[(hydroxymethoxy)carbonyl]-6-{[(2S,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[(hydroxymethoxy)carbonyl]oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-[(hydroxymethoxy)carbonyl]oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OCOC(=O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)OCO)O[C@@H]3C(=O)OCO)O[C@@H]2C(=O)OCO)[C@H](O)[C@@H](O)[C@H]1O | ||||||||
| InChI Identifier | InChI=1S/C28H42O29/c29-1-47-22(43)17-6(34)5(33)11(39)26(55-17)53-15-8(36)13(41)28(57-19(15)24(45)49-3-31)54-16-9(37)12(40)27(56-20(16)25(46)50-4-32)52-14-7(35)10(38)21(42)51-18(14)23(44)48-2-30/h5-21,26-42H,1-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21-,26-,27-,28-/m0/s1 | ||||||||
| InChI Key | PGQMFCVZFGJVNB-LRVJTQDXSA-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 | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
