≥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 | CC1(C(C(OC1N2C=NC3=C2N=C(N=C3Cl)Cl)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
|---|---|
| IUPAC Name | [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,6-dichloropurin-9-yl)-4-methyloxolan-2-yl]methyl benzoate |
| InChIKey | XTCBOJNEMVXZEK-ZLZVUVTQSA-N |
| INCHI | 1S/C32H24Cl2N4O7/c1-32(45-29(41)21-15-9-4-10-16-21)24(44-28(40)20-13-7-3-8-14-20)22(17-42-27(39)19-11-5-2-6-12-19)43-30(32)38-18-35-23-25(33)36-31(34)37-26(23)38/h2-16,18,22,24,30H,17H2,1H3/t22-,24-,30-,32-/m1/s1 |
| Isomeric SMILES | C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3Cl)Cl)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| PubChem CID | 10556181 |
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 Benzoic acid esters Purines and purine derivatives Benzoyl derivatives 2-halopyrimidines Aryl chlorides N-substituted imidazoles Monosaccharides Oxolanes Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine nucleoside - N-glycosyl compound - Glycosyl compound - Benzoate ester - Imidazopyrimidine - Benzoic acid or derivatives - Purine - Benzoyl - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Monosaccharide - N-substituted imidazole - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Oxolane - Heteroaromatic compound - Azole - Imidazole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 |
| Molecular Weight | 647.500 g/mol |
|---|---|
| XLogP3 | 6.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 646.102 Da |
| Monoisotopic Mass | 646.102 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1050.000 |
| 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 |
