≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Canonical Smiles | C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O |
|---|---|
| IUPAC Name | N-[9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide |
| InChIKey | NZDWTKFDAUOODA-MMPOEDRJSA-N |
| INCHI | 1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12-,13+,17-/m1/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@H]([C@@H]([C@H](O4)CO)O)O |
| Molecular Weight | 371.35 |
| Reaxy-Rn | 24865980 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24865980&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 |
| Class | Purine nucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine nucleosides |
| Alternative Parents | Glycosylamines Pentoses Benzamides Purines and purine derivatives Benzoyl derivatives Pyrimidines and pyrimidine derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Benzamide - Benzoic acid or derivatives - Imidazopyrimidine - Purine - Benzoyl - N-substituted imidazole - Monosaccharide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Oxolane - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Primary alcohol - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 371.300 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 371.123 Da |
| Monoisotopic Mass | 371.123 Da |
| Topological Polar Surface Area | 143.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 534.000 |
| 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 |
![N-[9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]benzamide - ≥97% CAS No(79896-97-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/6/N681813.jpg)