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Basic Description
| Synonyms | AKOS024319298 | CCRIS 685 | Orotic acid, monosodium salt | DTXSID1021083 | EN300-21039719 | EN300-7830632 | sodium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate | 4-PYRIMIDINECARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-, SODIUM SALT (1:1) | HMS20 |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
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 | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxylic acids |
| Alternative Parents | Hydropyrimidine carboxylic acids and derivatives Pyrimidones Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid salts Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic sodium salts Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Carboxylic acid salt - Lactam - Urea - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Azacycle - Hydrocarbon derivative - Organic salt - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic sodium salt - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504769651 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769651 |
| IUPAC Name | sodium;2,4-dioxo-1H-pyrimidine-6-carboxylate |
| INCHI | InChI=1S/C5H4N2O4.Na/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1 |
| InChIKey | ZTHMWDSJKLNDTE-UHFFFAOYSA-M |
| Smiles | C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+] |
| Isomeric SMILES | C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+] |
| WGK Germany | 3 |
| RTECS | RM3201700 |
| Molecular Weight | 178.08 |
| Reaxy-Rn | 6025939 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6025939&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2419003 |
Certificate of Analysis | Aug 14, 2024 | O335642 |
| H2419004 |
Certificate of Analysis | Aug 14, 2024 | O335642 |
| H2419005 |
Certificate of Analysis | Aug 14, 2024 | O335642 |
| H2419002 |
Certificate of Analysis | Aug 14, 2024 | O335642 |
Chemical and Physical Properties
| Refractive Index | n20D1.57 ± 0.02 (Predicted) |
|---|---|
| Molecular Weight | 178.080 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 177.999 Da |
| Monoisotopic Mass | 177.999 Da |
| Topological Polar Surface Area | 98.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 273.000 |
| 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 | 2 |
Solution Calculators
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