Determine the necessary mass, volume, or concentration for preparing a solution.
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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Uprifosbuvir is an antiviral agent. Uprifosbuvir is a NS5b inhibitor developed for the research of chronic hepatitis C virus.
Form:Solid
| ALogP | 1.2 |
|---|
| Canonical Smiles | CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)Cl)O)OC3=CC=CC=C3 |
|---|---|
| IUPAC Name | propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| InChIKey | SFPFZQKYPOWCSI-KHFYHRBSSA-N |
| INCHI | 1S/C22H29ClN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1 |
| Isomeric SMILES | C[C@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)Cl)O)OC3=CC=CC=C3 |
| Alternate CAS | 1496551-77-9 |
| PubChem CID | 90055716 |
| MeSH Entry Terms | MK-3682;uprifosbuvir |
| Molecular Weight | 545.91 |
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 | Nucleosides, nucleotides, and analogues |
| Class | Pyrimidine nucleosides |
| Subclass | Pyrimidine 2'-deoxyribonucleosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidine 2'-deoxyribonucleosides |
| Alternative Parents | Alpha amino acid esters Alanine and derivatives Phosphoric diester monoamides Phenoxy compounds Pyrimidones Hydropyrimidines Organic phosphoramides Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Secondary alcohols Carboxylic acid esters Chlorohydrins Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl chlorides Organonitrogen compounds Carbonyl compounds Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine 2'-deoxyribonucleoside - Alpha-amino acid ester - Alanine or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phosphoric diester monoamide - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Organic phosphoric acid amide - Benzenoid - Heteroaromatic compound - Oxolane - Vinylogous amide - Urea - Secondary alcohol - Carboxylic acid ester - Chlorohydrin - Halohydrin - Lactam - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl chloride - Hydrocarbon derivative - Organohalogen compound - Alcohol - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. |
| External Descriptors | Not available |
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| Molecular Weight | 545.900 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 545.133 Da |
| Monoisotopic Mass | 545.133 Da |
| Topological Polar Surface Area | 153.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 913.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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 |