Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ 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.
Sofosbuvir (PSI-7977, GS-7977) is a HCV NS5B polymerase inhibitor for the treatment of chronic hepatitis C virus (HCV) infection.
| ALogP | 1 |
|---|
| Pubchem Sid | 504770583 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770583 |
| Canonical Smiles | CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3 |
| IUPAC Name | propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| InChIKey | TTZHDVOVKQGIBA-IQWMDFIBSA-N |
| INCHI | 1S/C22H29FN3O9P/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-/m0/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)F)O)OC3=CC=CC=C3 |
| Molecular Weight | 529.45 |
| Reaxy-Rn | 29225463 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29225463&ln= |
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 Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Carboxylic acid esters Fluorohydrins Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organonitrogen compounds Organofluorides |
| 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 - Benzenoid - Hydropyrimidine - Phosphoric acid ester - Organic phosphoric acid derivative - Pyrimidine - Organic phosphoric acid amide - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Carboxylic acid ester - Fluorohydrin - Halohydrin - Lactam - Urea - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Alcohol - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen 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 | organofluorine compound - ring assembly - L-alanyl ester - phosphoramidate ester - nucleotide conjugate |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Nov 06, 2025 | P127282 | |
| Certificate of Analysis | Apr 26, 2024 | P127282 | |
| Certificate of Analysis | Apr 26, 2024 | P127282 | |
| Certificate of Analysis | Apr 26, 2024 | P127282 | |
| Certificate of Analysis | Apr 17, 2023 | P127282 |
| Solubility | DMSO |
|---|---|
| Molecular Weight | 529.500 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 11 |
| Exact Mass | 529.163 Da |
| Monoisotopic Mass | 529.163 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →