≥98% 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=NC(=O)N(C=C1)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N |
|---|---|
| IUPAC Name | N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide |
| InChIKey | TXZRTLKYXTXDQF-PBRWWWDFSA-N |
| INCHI | 1S/C43H54N5O8P/c1-29(2)41(49)45-39-23-25-47(42(50)46-39)40-27-37(56-57(54-26-12-24-44)48(30(3)4)31(5)6)38(55-40)28-53-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-23,25,29-31,37-38,40H,12,26-28H2,1-8H3,(H,45,46,49,50)/t37-,38+,40+,57?/m0/s1 |
| Isomeric SMILES | CC(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N |
| PubChem CID | 13888022 |
| Molecular Weight | 799.91 |
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 | Ribonucleoside phosphoramidites Benzylethers Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Pyrimidones Hydropyrimidines Imidolactams Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triphenyl compound - Ribonucleoside phosphoramidite - Benzylether - Phenoxy compound - Anisole - N-arylamide - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Pyrimidine - Monocyclic benzene moiety - Imidolactam - Hydropyrimidine - Heteroaromatic compound - Oxolane - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Cyanide - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic 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 | 799.900 g/mol |
|---|---|
| XLogP3 | 6.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 19 |
| Exact Mass | 799.371 Da |
| Monoisotopic Mass | 799.371 Da |
| Topological Polar Surface Area | 144.000 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1360.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
