Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1(OC2C(OC(C2O1)OC)CI)C |
|---|---|
| IUPAC Name | (3aR,4R,6S,6aS)-6-(iodomethyl)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole |
| InChIKey | AAEYGFITCYWQDV-WCTZXXKLSA-N |
| INCHI | 1S/C9H15IO4/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1 |
| Isomeric SMILES | CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CI)C |
| PubChem CID | 10358243 |
| Molecular Weight | 314.12 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Acetals |
| Direct Parent | Ketals |
| Alternative Parents | Monosaccharides Tetrahydrofurans 1,3-dioxolanes Oxacyclic compounds Organoiodides Hydrocarbon derivatives Alkyl iodides |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Ketal - Monosaccharide - Tetrahydrofuran - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. |
| External Descriptors | Not available |
| Molecular Weight | 314.120 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 314.002 Da |
| Monoisotopic Mass | 314.002 Da |
| Topological Polar Surface Area | 36.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |