Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥90% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| Sonrisas canónicas | CC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O |
|---|---|
| IUPAC Name | (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid |
| InChIKey | HJDRXEQUFWLOGJ-AJNGGQMLSA-N |
| INCHI | 1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1 |
| Isómeros SMILES | CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O |
| Peso molecular | 487.51 |
| Reaxy-Rn | 43404560 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43404560&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 acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | Aspartic acid and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Serine and derivatives Alpha amino acid amides N-acylpyrrolidines Pyrrolidine carboxylic acids Hydroxy fatty acids Heterocyclic fatty acids N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Acetamides Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Primary alcohols |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-oligopeptide - Aspartic acid or derivatives - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Heterocyclic fatty acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Fatty acid - Tertiary carboxylic acid amide - Pyrrolidine - Acetamide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organooxygen compound - Primary amine - Organic oxide - Alcohol - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
| External Descriptors | Not available |
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| Solubilidad | Soluble in water |
|---|---|
| Peso molecular | 487.500 g/mol |
| XLogP3 | -5.400 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 14 |
| Exact Mass | 487.228 Da |
| Monoisotopic Mass | 487.228 Da |
| Topological Polar Surface Area | 228.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 776.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →