≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | COC(=O)C1COCC1N |
|---|---|
| IUPAC Name | methyl (3R,4S)-4-aminooxolane-3-carboxylate |
| InChIKey | YQKCZMNEYIICEE-CRCLSJGQSA-N |
| INCHI | 1S/C6H11NO3/c1-9-6(8)4-2-10-3-5(4)7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1 |
| Isomeric SMILES | COC(=O)[C@H]1COC[C@H]1N |
| Molecular Weight | 181.617 |
| Reaxy-Rn | 14667416 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14667416&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Sugar acids and derivatives - Sugar amino acids and derivatives |
| Direct Parent | Furanoid amino acids and derivatives |
| Alternative Parents | Beta amino acids and derivatives Oxolanes Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Furanoid amino acid - Beta amino acid or derivatives - Oxolane - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Primary amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring. |
| External Descriptors | Not available |
| Molecular Weight | 145.160 g/mol |
|---|---|
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 145.074 Da |
| Monoisotopic Mass | 145.074 Da |
| Topological Polar Surface Area | 61.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 137.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
