for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CCCCC[C@@H]1CC[C@@H](CCCCC(=O)N([C@H](C(=O)O1)CC2=CC=C(C=C2)OCCO)C)C |
|---|---|
| IUPAC Name | (3S,10R,13R)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione |
| InChIKey | PCRJJAXIHTZHNU-SDUSCBPUSA-N |
| INCHI | 1S/C27H43NO5/c1-4-5-6-10-24-15-12-21(2)9-7-8-11-26(30)28(3)25(27(31)33-24)20-22-13-16-23(17-14-22)32-19-18-29/h13-14,16-17,21,24-25,29H,4-12,15,18-20H2,1-3H3/t21-,24-,25+/m1/s1 |
| Peso molecular | 461.600 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Macrolide lactams |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Macrolide lactams |
| Alternative Parents | Alpha amino acid esters Macrolactams Macrolides and analogues Phenoxy compounds Phenol ethers Alkyl aryl ethers Tertiary carboxylic acid amides Carboxylic acid esters Lactams Lactones Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organonitrogen compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Macrolide lactam - Alpha-amino acid ester - Macrolactam - Macrolide - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group. |
| External Descriptors | aromatic ether - macrolide antibiotic - lactam |
| Peso molecular | 461.600 g/mol |
|---|---|
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 461.314 Da |
| Monoisotopic Mass | 461.314 Da |
| Topological Polar Surface Area | 76.100 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 561.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
![(3S,10R,13R)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione - CAS No(258871-60-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/9/S984174.jpg)