≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CCC(=O)OCCOCCOC(=O)C1 |
|---|---|
| IUPAC Name | 1,4,7-trioxacyclotridecane-8,13-dione |
| InChIKey | PMDHMYFSRFZGIO-UHFFFAOYSA-N |
| INCHI | 1S/C10H16O5/c11-9-3-1-2-4-10(12)15-8-6-13-5-7-14-9/h1-8H2 |
| Isomeric SMILES | C1CCC(=O)OCCOCCOC(=O)C1 |
| Alternate CAS | 6607-34-7 |
| PubChem CID | 81082 |
| Molecular Weight | 216.23 |
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 | Phenylpropanoids and polyketides |
| Class | Macrolides and analogues |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Macrolides and analogues |
| Alternative Parents | Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Macrolide - Dicarboxylic acid or derivatives - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. |
| External Descriptors | Not available |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 216.230 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 216.1 Da |
| Monoisotopic Mass | 216.1 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| Isotope Atom Count | 0 |
| 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 |
L2529300