≥99% 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.
Pseudothymidine is a C-nucleoside analog of thymidine.
In Vitro
Pseudothymidine is a C-nucleoside analog of thymidine. The calculated ΔΔG° 50 /mod is -0.5 kcal/mol, with a Δ T m /mod of 0.82°C. For the duplexes containing nine dA-T/ψT pairs, the Δ T m /mod is -0.9°C and a ΔΔG° 50 /mod is +1.1 kcal/mol. The modification of the duplex containing 12 consecutive dA-T/ψT base pairs produces a Δ T m /mod of -0.9°C and a ΔΔG° 50 /mod of +1.2 kcal/mol. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Canonical Smiles | CN1C=C(C(=O)NC1=O)C2CC(C(O2)CO)O |
|---|---|
| IUPAC Name | 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione |
| InChIKey | AMDJRICBYOAHBZ-XLPZGREQSA-N |
| INCHI | 1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 |
| Isomeric SMILES | CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
| Alternate CAS | 65358-15-8 |
| PubChem CID | 445537 |
| Molecular Weight | 242.23 |
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 Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | C-glycosyl compound - Glycosyl compound - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Vinylogous amide - Lactam - Secondary alcohol - Urea - Oxacycle - Ether - Dialkyl ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - 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 |
| Solubility | DMSO : ≥ 61.17 mg/mL (252.53 mM) |
|---|---|
| Molecular Weight | 242.230 g/mol |
| XLogP3 | -1.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 242.09 Da |
| Monoisotopic Mass | 242.09 Da |
| Topological Polar Surface Area | 99.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| 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 |
