Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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.
| 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)OCCOC |
|---|---|
| IUPAC Name | N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide |
| InChIKey | XDLPRZLZAFJSMA-BEGXHNNXSA-N |
| INCHI | 1S/C38H43N5O9/c1-23(2)34(45)41-37-40-33-30(35(46)42-37)39-22-43(33)36-32(50-20-19-47-3)31(44)29(52-36)21-51-38(24-9-7-6-8-10-24,25-11-15-27(48-4)16-12-25)26-13-17-28(49-5)18-14-26/h6-18,22-23,29,31-32,36,44H,19-21H2,1-5H3,(H2,40,41,42,45,46)/t29-,31-,32-,36-/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)OCCOC |
| Molecular Weight | 713.77 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 nucleosides Glycosylamines 6-oxopurines Hypoxanthines Benzylethers Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Pyrimidones N-substituted imidazoles Monosaccharides Vinylogous amides Oxolanes Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triphenyl compound - Purine nucleoside - N-glycosyl compound - Glycosyl compound - 6-oxopurine - Hypoxanthine - Benzylether - Purine - Imidazopyrimidine - Phenoxy compound - Methoxybenzene - N-arylamide - Phenol ether - Anisole - Alkyl aryl ether - Pyrimidone - Monosaccharide - N-substituted imidazole - Pyrimidine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Oxolane - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - 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 | 713.800 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 15 |
| Exact Mass | 713.306 Da |
| Monoisotopic Mass | 713.306 Da |
| Topological Polar Surface Area | 164.000 Ų |
| Heavy Atom Count | 52 |
| 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 |