analytical standard, ≥95% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F |
|---|---|
| IUPAC Name | 4-amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one |
| InChIKey | XQSPYNMVSIKCOC-RITPCOANSA-N |
| INCHI | 1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m1/s1 |
| Isomeric SMILES | C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)F |
| Alternate CAS | 137530-41-7 |
| PubChem CID | 454858 |
| MeSH Entry Terms | (+)-emtricitabine;(+)-FTC;(rac)-emtricitabine;1-(2-(hydroxymethyl)oxathiolan-5-yl)-5-fluorocytosine;2',3'-dideoxy-5-fluoro-3'-thiacytidine;2',3'-dideoxy-5-fluoro-3'-thiacytidine, (2S-cis)-isomer;5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine;D |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Class | Nucleoside and nucleotide analogues |
| Subclass | 3'-thia pyrimidine nucleosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3'-thia pyrimidine nucleosides |
| Alternative Parents | Pyrimidones Aminopyrimidines and derivatives Halopyrimidines Aryl fluorides Hydropyrimidines Imidolactams Oxathiolanes Heteroaromatic compounds Monothioacetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Primary alcohols Primary amines Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3'-thia pyrimidine nucleoside - Aminopyrimidine - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Monothioacetal - Oxathiolane - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3'-thia pyrimidine nucleosides. These are nucleoside analogues with a structure that consists of a pyrimidine base, which is N-substituted at the 1-position with a 3'-thia derivative (1,3-oxazolidine) of the ribose moiety that is characteristic of nucleosides. |
| External Descriptors | Not available |
| Molecular Weight | 247.250 g/mol |
|---|---|
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 247.043 Da |
| Monoisotopic Mass | 247.043 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 374.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
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