≥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 | CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2CC(=O)O.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | 2-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]acetic acid;2,2,2-trifluoroacetic acid |
| InChIKey | KYEIVXPDFHYFIC-UHFFFAOYSA-N |
| INCHI | 1S/C11H13N5O4.C2HF3O2/c1-5(2)9(19)14-11-13-8-7(10(20)15-11)12-4-16(8)3-6(17)18;3-2(4,5)1(6)7/h4-5H,3H2,1-2H3,(H,17,18)(H2,13,14,15,19,20);(H,6,7) |
| PubChem CID | 135742624 |
| Peso molecular | 393.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Purinones |
| Direct Parent | Hypoxanthines |
| Alternative Parents | 6-oxopurines Alpha amino acids and derivatives N-arylamides Pyrimidones N-substituted imidazoles Vinylogous amides Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides |
| Molecular Framework | Not available |
| Substituents | 6-oxopurine - Alpha-amino acid or derivatives - Hypoxanthine - N-arylamide - Pyrimidone - N-substituted imidazole - Pyrimidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Alkyl fluoride - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
| Peso molecular | 393.280 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 4 |
| Exact Mass | 393.09 Da |
| Monoisotopic Mass | 393.09 Da |
| Topological Polar Surface Area | 163.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 559.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
