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≥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.
| Sonrisas canónicas | C1CC(=O)N(C1=O)OC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O |
|---|---|
| IUPAC Name | 18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid |
| InChIKey | DVGUZQKRMQLDDD-HKBQPEDESA-N |
| INCHI | 1S/C39H66N4O15/c44-32(18-17-31(39(52)53)42-33(45)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-37(49)50)40-21-23-54-25-27-56-29-34(46)41-22-24-55-26-28-57-30-38(51)58-43-35(47)19-20-36(43)48/h31H,1-30H2,(H,40,44)(H,41,46)(H,42,45)(H,49,50)(H,52,53)/t31-/m0/s1 |
| Isómeros SMILES | C1CC(=O)N(C1=O)OC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O |
| CAS alternativo | 1169630-40-3 |
| PubChem CID | 86644536 |
| Peso molecular | 830.96 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Glutamine and derivatives |
| Alternative Parents | N-acyl-L-alpha-amino acids Tricarboxylic acids and derivatives Pyrrolidine-2-ones N-acyl amines Dicarboximides Secondary carboxylic acid amides Lactams Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Tricarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Pyrrolidone - Fatty acyl - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Dialkyl ether - Carboxylic acid - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Peso molecular | 831.000 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 40 |
| Exact Mass | 830.452 Da |
| Monoisotopic Mass | 830.452 Da |
| Topological Polar Surface Area | 263.000 Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1220.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |