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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(C(OC1C2=CNC(=O)NC2=O)CO)O |
|---|---|
| IUPAC Name | 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione |
| InChIKey | ASOJEESZSWWNQK-RRKCRQDMSA-N |
| INCHI | 1S/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)/t5-,6+,7+/m0/s1 |
| Isomeric SMILES | C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)CO)O |
| PubChem CID | 10466304 |
| Molecular Weight | 228.21 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nucleoside and nucleotide analogues |
| Alternative Parents | C-glycosyl compounds Pyrimidones Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Secondary alcohols Lactams Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | C-glycosyl compound - Glycosyl compound - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Oxolane - Vinylogous amide - Lactam - Secondary alcohol - Urea - Azacycle - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others. |
| External Descriptors | Not available |
| Molecular Weight | 228.200 g/mol |
|---|---|
| XLogP3 | -1.800 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 228.075 Da |
| Monoisotopic Mass | 228.075 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
