for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COC(=O)CCCCCCC/C=C/C/C=C/CCCCC |
|---|---|
| IUPAC Name | 2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propyl (9E,12E)-octadeca-9,12-dienoate |
| InChIKey | HBOQXIRUPVQLKX-MWJBUCGGSA-N |
| INCHI | 1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16+,20-17+,21-18+,28-25+,29-26+,30-27+ |
| Molecular Weight | 879.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Glycerolipids |
| Subclass | Triradylcglycerols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triacylglycerols |
| Alternative Parents | Lineolic acids and derivatives Tricarboxylic acids and derivatives Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Triacyl-sn-glycerol - Octadecanoid - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. |
| External Descriptors | Not available |
| Molecular Weight | 879.400 g/mol |
|---|---|
| XLogP3 | 20.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 50 |
| Exact Mass | 878.736 Da |
| Monoisotopic Mass | 878.736 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1130.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 6 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 6 |
| Covalently-Bonded Unit Count | 1 |
![2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propyl (9E,12E)-octadeca-9,12-dienoate - CAS No(5188-25-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B1298272.jpg)