Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%,≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C(CCC(=O)O)CC(=O)O |
|---|---|
| IUPAC Name | dideuterio 2,2,3,3,4,4,5,5-octadeuteriohexanedioate |
| InChIKey | WNLRTRBMVRJNCN-YQMDOBQVSA-N |
| INCHI | 1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i1D2,2D2,3D2,4D2/hD2 |
| Isomeric SMILES | [2H]C([2H])(C(=O)O[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[2H] |
| Alternate CAS | 124-04-9(unlabeled) |
| Molecular Weight | 156.20 |
| Reaxy-Rn | 1209788 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209788&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Medium-chain fatty acids |
| Alternative Parents | Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Medium-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 156.200 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 156.121 Da |
| Monoisotopic Mass | 156.121 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 114.000 |
| Isotope Atom Count | 10 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Weijuan Xu, Jianyi Li, Shuguang Jian, Mingyong Zhang, Yongxia Jia, Kuaifei Xia. (2025) HubHLH36 promotes oxalate degradation through HuAAE3 to enhance salt tolerance in pitaya (Hylocereus polyrhizus). PLANT PHYSIOLOGY AND BIOCHEMISTRY, [PMID:40483760] [10.1016/j.plaphy.2025.110135] |