Sorbitan, didocosanoate (CHEM076674)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 16:33:34 UTC | ||||||||
| Update Date | 2026-04-04 16:33:34 UTC | ||||||||
| Accession Number | CHEM076674 | ||||||||
| Identification | |||||||||
| Common Name | Sorbitan, didocosanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C50H96O7 | ||||||||
| Average Molecular Mass | 809.311 g/mol | ||||||||
| Monoisotopic Mass | 808.716 g/mol | ||||||||
| CAS Registry Number | 93980-58-6 | ||||||||
| IUPAC Name | [(2R,3R,4S)-2-[(1R)-1-docosanoyloxy-2-hydroxyethyl]-4-hydroxyoxolan-3-yl] docosanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCCCCCCCC | ||||||||
| InChI Identifier | InChI=1S/C50H96O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(53)56-46(43-51)50-49(45(52)44-55-50)57-48(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-52H,3-44H2,1-2H3/t45-,46+,49+,50+/m0/s1 | ||||||||
| InChI Key | XLHKBKPYBHLCTJ-NEWJQEBSSA-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 | ||||||||
