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Basic Description
| Synonyms | 5-Hydroxymethyluracil | 4433-40-3 | 5-(Hydroxymethyl)uracil | 5-(HYDROXYMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE | 5-Oxymethyluracil | 5-Hydroxymethyl uracil | 5-(Hydroxymethyl)pyrimidine-2,4-diol | Uracil, 5-(hydroxymethyl)- | 2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)- | 5- |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
5-(Hydroxymethyl)uracil serves as a stable major oxidative modification of thymine formed through the action of ionizing radiation. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Diazines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidones |
| Alternative Parents | Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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 | a small molecule |
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Names and Identifiers
| IUPAC Name | 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione |
|---|---|
| INCHI | InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10) |
| InChIKey | JDBGXEHEIRGOBU-UHFFFAOYSA-N |
| Smiles | C1=C(C(=O)NC(=O)N1)CO |
| Isomeric SMILES | C1=C(C(=O)NC(=O)N1)CO |
| WGK Germany | 3 |
| RTECS | YR0513000 |
| Molecular Weight | 142.11 |
| Reaxy-Rn | 125482 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125482&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Melt Point(°C) | >300°C |
|---|---|
| Molecular Weight | 142.110 g/mol |
| XLogP3 | -1.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 142.038 Da |
| Monoisotopic Mass | 142.038 Da |
| Topological Polar Surface Area | 78.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
Solution Calculators
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