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| Synonyms | BP-58683 | EINECS 206-647-7 | MFCD00034509 | 2',3'-Isopropylideneuridine | NSC 520038 | 2',3'-O-Isopropylideneuridine | 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione | GFDUSNQQMOENLR |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at -20°C,Argon charged,Desiccated |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Application: 2′,3′-O-Isopropylideneuridine is used in the chemical synthesis of N-benzoylated uridine derivatives and N3-substituted 2′,3′-O-isopropylideneuridines with central nervous system (CNS) depressant activity. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidones |
| Alternative Parents | Ketals Hydropyrimidines Monosaccharides Vinylogous amides Tetrahydrofurans 1,3-dioxolanes Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrimidone - Ketal - Hydropyrimidine - Monosaccharide - Meta-dioxolane - Tetrahydrofuran - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Azacycle - Acetal - Oxacycle - Alcohol - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione |
|---|---|
| INCHI | InChI=1S/C12H16N2O6/c1-12(2)19-8-6(5-15)18-10(9(8)20-12)14-4-3-7(16)13-11(14)17/h3-4,6,8-10,15H,5H2,1-2H3,(H,13,16,17)/t6-,8-,9-,10-/m1/s1 |
| InChIKey | GFDUSNQQMOENLR-PEBGCTIMSA-N |
| Smiles | CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)CO)C |
| Isomeric SMILES | CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(=O)NC3=O)CO)C |
| Molecular Weight | 284.27 |
| Reaxy-Rn | 5757516 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5757516&ln= |
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 | Sep 09, 2023 | A588882 | |
| Certificate of Analysis | Sep 09, 2023 | A588882 | |
| Certificate of Analysis | Sep 09, 2023 | A588882 |
| Sensitivity | Air sensitive |
|---|---|
| Melt Point(°C) | 164 °C |
| Molecular Weight | 284.260 g/mol |
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 284.101 Da |
| Monoisotopic Mass | 284.101 Da |
| Topological Polar Surface Area | 97.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 477.000 |
| 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 |