for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4Cl)F)OC(=O)C5=CC=CC=C5 |
|---|---|
| IUPAC Name | [(2R,3R,4S,5R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methyl benzoate |
| InChIKey | UUXIUBHNOYWBNO-ZRAXVTTISA-N |
| INCHI | 1S/C24H18ClFN4O5/c25-20-18-21(28-12-27-20)30(13-29-18)22-17(26)19(35-24(32)15-9-5-2-6-10-15)16(34-22)11-33-23(31)14-7-3-1-4-8-14/h1-10,12-13,16-17,19,22H,11H2/t16-,17+,19-,22-/m1/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=NC4=C3N=CN=C4Cl)F)OC(=O)C5=CC=CC=C5 |
| PubChem CID | 54373568 |
| Molecular Weight | 496.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Class | Purine nucleosides |
| Subclass | Purine 2'-deoxyribonucleosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine 2'-deoxyribonucleosides |
| Alternative Parents | Benzoic acid esters Purines and purine derivatives Benzoyl derivatives Halopyrimidines N-substituted imidazoles Dicarboxylic acids and derivatives Aryl chlorides Tetrahydrofurans Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine 2'-deoxyribonucleoside - Benzoate ester - Purine - Imidazopyrimidine - Benzoic acid or derivatives - Benzoyl - Halopyrimidine - Benzenoid - Pyrimidine - N-substituted imidazole - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Azole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2. |
| External Descriptors | Not available |
| Molecular Weight | 496.900 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 496.095 Da |
| Monoisotopic Mass | 496.095 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 753.000 |
| 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 |
