≥97% 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(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)F |
|---|---|
| IUPAC Name | N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide |
| InChIKey | QQQXVSXVBFQISZ-UNVYQVKTSA-N |
| INCHI | 1S/C35H36FN5O7/c1-20(2)31(43)39-34-38-30-28(32(44)40-34)37-19-41(30)33-27(36)29(42)26(48-33)18-47-35(21-8-6-5-7-9-21,22-10-14-24(45-3)15-11-22)23-12-16-25(46-4)17-13-23/h5-17,19-20,26-27,29,33,42H,18H2,1-4H3,(H2,38,39,40,43,44)/t26-,27-,29-,33-/m1/s1 |
| Isomeric SMILES | CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)F |
| Alternate CAS | 144089-96-3 |
| Molecular Weight | 657.70 |
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 | Benzenoids |
| Class | Triphenyl compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triphenyl compounds |
| Alternative Parents | Purine 2'-deoxyribonucleosides 6-oxopurines Hypoxanthines Benzylethers Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Pyrimidones N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Fluorohydrins Secondary carboxylic acid amides Secondary alcohols Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triphenyl compound - Purine 2'-deoxyribonucleoside - Purine nucleoside - 6-oxopurine - Hypoxanthine - Purine - Imidazopyrimidine - Benzylether - Methoxybenzene - Anisole - N-arylamide - Phenoxy compound - Phenol ether - Pyrimidone - Alkyl aryl ether - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Imidazole - Vinylogous amide - Heteroaromatic compound - Oxolane - Azole - Carboxamide group - Fluorohydrin - Halohydrin - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Alkyl halide - Alcohol - Organic oxygen compound - Organic oxide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety. |
| External Descriptors | Not available |
| Molecular Weight | 657.700 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 657.26 Da |
| Monoisotopic Mass | 657.26 Da |
| Topological Polar Surface Area | 146.000 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1110.000 |
| 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 |
