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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.Cl |
|---|---|
| IUPAC Name | 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl 2-amino-3-methylbutanoate;hydrochloride |
| InChIKey | ZCDDBUOENGJMLV-UHFFFAOYSA-N |
| INCHI | 1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H |
| Peso molecular | 360.8 |
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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 | Alpha amino acid esters |
| Alternative Parents | Valine and derivatives 6-oxopurines Hypoxanthines Pyrimidones Aminopyrimidines and derivatives Fatty acid esters N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic chloride salts Carbonyl compounds Organic oxides Organic zwitterions Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Valine or derivatives - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Aminopyrimidine - Fatty acid ester - Pyrimidone - N-substituted imidazole - Pyrimidine - Fatty acyl - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic salt - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Primary amine - Organic oxygen compound - Organic chloride salt - Organic zwitterion - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 360.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 360.131 Da |
| Monoisotopic Mass | 360.131 Da |
| Topological Polar Surface Area | 147.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 483.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
![2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 2-azanyl-3-methyl-butanoate hydrochloride , CAS No.142963-71-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)