Sodium 5-ethyl-6-hydroxy-5-(4-methylpentyl)-2-oxo-2,5-dihydropyrimidin-4-olate
Basic information
- CAS
66968-96-5- Standard SMILES
CCC1(CCCC(C)C)C(=O)[N-]C(=O)NC1=O.[Na+]- InChIKey
ATAUTAMFEQZFSC-UHFFFAOYSA-M- Molecular formula
- C12H19N2NaO3
- Average molar mass
- 262.28 g/mol
- Monoisotopic mass
- 262.12933675
Names & identifiers
- Preferred name
- Sodium 5-ethyl-6-hydroxy-5-(4-methylpentyl)-2-oxo-2,5-dihydropyrimidin-4-olate
- IUPAC
- sodium 5-ethyl-5-(4-methylpentyl)pyrimidin-3-ide-2,4,6-trione
Names & synonyms
66968-96-5DTXSID10985778Sodium 5-ethyl-6-hydroxy-5-(4-methylpentyl)-2-oxo-2,5-dihydropyrimidin-4-olateRefChem:1098736DTXCID401412969Sodium 5-ethyl-5-(4-methylpentyl)barbiturate5-Ethyl-5-(4-methylpentyl)barbituric acid sodium saltBARBITURIC ACID, 5-ETHYL-5-(4-METHYLPENTYL)-, SODIUM SALT
Database identifiers
- CAS
66968-96-5- PubChem CID
- 23716016
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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