≥98%(HPLC)(T) 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 | 504766473 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766473 |
| Canonical Smiles | C1=CC=C(C=C1)C(=O)N(C2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7 |
| IUPAC Name | [(2R,3R,4R,5R)-4-benzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] benzoate |
| InChIKey | GNYQOUZNLMTKQG-RLRJIRQBSA-N |
| INCHI | 1S/C38H29N5O8/c44-21-28-30(50-37(47)26-17-9-3-10-18-26)31(51-38(48)27-19-11-4-12-20-27)36(49-28)42-23-41-29-32(42)39-22-40-33(29)43(34(45)24-13-5-1-6-14-24)35(46)25-15-7-2-8-16-25/h1-20,22-23,28,30-31,36,44H,21H2/t28-,30-,31-,36-/m1/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)N(C2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7 |
| PubChem CID | 11479468 |
| Molecular Weight | 683.68 |
| Reaxy-Rn | 1204219 |
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 Pentoses Purines and purine derivatives Benzoyl derivatives Pyrimidines and pyrimidine derivatives Imidolactams N-substituted carboxylic acid imides N-substituted imidazoles Heteroaromatic compounds Oxolanes Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine nucleoside - N-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Benzoate ester - Imidazopyrimidine - Benzoic acid or derivatives - Purine - Benzoyl - Monosaccharide - Carboxylic acid imide, n-substituted - N-substituted imidazole - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Carboxylic acid imide - Imidazole - Oxolane - Azole - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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 |
| Melt Point(°C) | 183 °C |
|---|---|
| Molecular Weight | 683.700 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 11 |
| Exact Mass | 683.202 Da |
| Monoisotopic Mass | 683.202 Da |
| Topological Polar Surface Area | 163.000 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1180.000 |
| 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 |
J2318525