Heptaglycol ether sulfate (CHEM056140)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-26 19:10:09 UTC | ||||||||
| Update Date | 2026-03-26 19:10:09 UTC | ||||||||
| Accession Number | CHEM056140 | ||||||||
| Identification | |||||||||
| Common Name | Heptaglycol ether sulfate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Heptaglycol ether sulfate belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C18H38O13S1 and an average molecular weight of 494.55 g/mol. This substance is further classified as an organic oxygen compound. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms |
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| Chemical Formula | C18H38O13S1 | ||||||||
| Average Molecular Mass | 494.550 g/mol | ||||||||
| Monoisotopic Mass | 494.203 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OCCOCCOCCOCCOCCOCCOCCOCCOCCOS(O)(=O)=O | ||||||||
| InChI Identifier | InChI=1S/C18H38O13S/c19-1-2-23-3-4-24-5-6-25-7-8-26-9-10-27-11-12-28-13-14-29-15-16-30-17-18-31-32(20,21)22/h19H,1-18H2,(H,20,21,22) | ||||||||
| InChI Key | MVTDSFRJTVUNEA-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic oxygen compounds | ||||||||
| Class | Organooxygen compounds | ||||||||
| Sub Class | Ethers | ||||||||
| Direct Parent | Polyethylene glycols | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 | Not Available | ||||||||
| 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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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 138402801 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
