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 | C#C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O)O |
|---|---|
| IUPAC Name | 1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| InChIKey | KPLKOOBPQQYUTM-PNHWDRBUSA-N |
| INCHI | 1S/C11H12N2O6/c1-2-11(18)8(16)6(5-14)19-9(11)13-4-3-7(15)12-10(13)17/h1,3-4,6,8-9,14,16,18H,5H2,(H,12,15,17)/t6-,8-,9-,11-/m1/s1 |
| Molecular Weight | 268.22 |
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 | Pyrimidine nucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidine nucleosides |
| Alternative Parents | Glycosylamines Pentoses Pyrimidones Ynones Hydropyrimidines Vinylogous amides Tetrahydrofurans Tertiary alcohols Heteroaromatic compounds Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Acetylides Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine nucleoside - N-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Pyrimidone - Ynone - Pyrimidine - Monosaccharide - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Tertiary alcohol - Urea - Secondary alcohol - Lactam - Acetylide - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. |
| External Descriptors | Not available |
| Molecular Weight | 268.220 g/mol |
|---|---|
| XLogP3 | -2.400 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 268.07 Da |
| Monoisotopic Mass | 268.07 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 495.000 |
| 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 |
