≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3Cl)OC(=O)C)OC(=O)C |
|---|---|
| IUPAC Name | [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloropurin-9-yl)oxolan-2-yl]methyl acetate |
| InChIKey | INOTYVPMBNDAFK-XNIJJKJLSA-N |
| INCHI | 1S/C16H17ClN4O7/c1-7(22)25-4-10-12(26-8(2)23)13(27-9(3)24)16(28-10)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3/t10-,12-,13-,16-/m1/s1 |
| Isomeric SMILES | CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3Cl)OC(=O)C)OC(=O)C |
| PubChem CID | 11825800 |
| Molecular Weight | 412.79 |
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 Tricarboxylic acids and derivatives Purines and purine derivatives Halopyrimidines Aryl chlorides Monosaccharides N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine nucleoside - N-glycosyl compound - Glycosyl compound - Imidazopyrimidine - Purine - Tricarboxylic acid or derivatives - Halopyrimidine - Aryl halide - N-substituted imidazole - Pyrimidine - Monosaccharide - Aryl chloride - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Azole - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 412.800 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 412.079 Da |
| Monoisotopic Mass | 412.079 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 624.000 |
| 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 |
