≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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 | C1=CC=C(C=C1)COC(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O |
|---|---|
| IUPAC Name | 3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenylmethoxycarbonylamino)propoxy]propanoic acid |
| InChIKey | NQLURFNELQYXEY-UHFFFAOYSA-N |
| INCHI | 1S/C21H29NO11/c23-17(24)6-9-30-13-21(14-31-10-7-18(25)26,15-32-11-8-19(27)28)22-20(29)33-12-16-4-2-1-3-5-16/h1-5H,6-15H2,(H,22,29)(H,23,24)(H,25,26)(H,27,28) |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O |
| PubChem CID | 21606755 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Tricarboxylic acids and derivatives Carbamate esters Dialkyl ethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Tricarboxylic acid or derivatives - Carbamic acid ester - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 471.500 g/mol |
|---|---|
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 19 |
| Exact Mass | 471.174 Da |
| Monoisotopic Mass | 471.174 Da |
| Topological Polar Surface Area | 178.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 564.000 |
| 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 |
![3-[2-Benzyloxycarbonylamino-3-(2-carboxy-ethoxy)-2-(2-carboxy-ethoxymethyl)-propoxy]-propionic - ≥95% CAS No(200133-16-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/7/B770036.jpg)