for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
Pentosidine is a biochemical marker of bone turnover and for advanced glycation endproducts
| Canonical Smiles | C1=CN(C2=NC(=NC2=C1)NCCCC(C(=O)O)N)CCCCC(C(=O)O)N |
|---|---|
| IUPAC Name | (2S)-2-amino-6-[2-[[(4S)-4-amino-4-carboxybutyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid |
| InChIKey | AYEKKSTZQYEZPU-RYUDHWBXSA-N |
| INCHI | 1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1 |
| Isomeric SMILES | C1=CN(C2=NC(=NC2=C1)NCCC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N |
| PubChem CID | 119593 |
| Molecular Weight | 378.43 |
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 |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids |
| Direct Parent | L-alpha-amino acids |
| Alternative Parents | Imidazopyridines Medium-chain fatty acids Amino fatty acids Heterocyclic fatty acids Pyridines and derivatives Dicarboxylic acids and derivatives Imidazoles Heteroaromatic compounds Amino acids Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | L-alpha-amino acid - Imidazopyridine - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Pyridine - Azole - Heteroaromatic compound - Imidazole - Amino acid - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
| External Descriptors | non-proteinogenic L-alpha-amino acid - imidazopyridine |
| Boil Point(°C) | ~655.6° C at 760 mmHg (Predicted) |
|---|---|
| Melt Point(°C) | 323.40° C (Predicted) |
| Molecular Weight | 378.400 g/mol |
| XLogP3 | -4.700 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 12 |
| Exact Mass | 378.202 Da |
| Monoisotopic Mass | 378.202 Da |
| Topological Polar Surface Area | 169.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 494.000 |
| 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 |
