≥96% 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.
| Pubchem Sid | 504773372 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773372 |
| Sonrisas canónicas | C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C(=O)N2)N=CN3C4C(C(C(O4)CO)O)O |
| IUPAC Name | N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-phenylacetamide |
| InChIKey | IRSCBAKCFOLZNC-IWCJZZDYSA-N |
| INCHI | 1S/C18H19N5O6/c24-7-10-13(26)14(27)17(29-10)23-8-19-12-15(23)21-18(22-16(12)28)20-11(25)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,24,26-27H,6-7H2,(H2,20,21,22,25,28)/t10-,13-,14-,17-/m1/s1 |
| Isómeros SMILES | C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C(=O)N2)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
| Peso molecular | 401.4 |
| Reaxy-Rn | 58795948 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58795948&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 | Nucleosides, nucleotides, and analogues |
| Clase | Purine nucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine nucleosides |
| Alternative Parents | Glycosylamines Phenylacetamides Pentoses 6-oxopurines Hypoxanthines N-arylamides Pyrimidones N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Pentose monosaccharide - Phenylacetamide - Imidazopyrimidine - Purine - N-arylamide - Pyrimidone - Monosaccharide - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Imidazole - Oxolane - Azole - Carboxamide group - 1,2-diol - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. |
| External Descriptors | Not available |
| Peso molecular | 401.400 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 401.134 Da |
| Monoisotopic Mass | 401.134 Da |
| Topological Polar Surface Area | 158.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 669.000 |
| 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 |
J2127432