Sodium 5-ethyl-6-hydroxy-5-(octan-2-yl)-2-oxo-2,5-dihydropyrimidin-4-olate
Basic information
- CAS
66968-81-8- Standard SMILES
CCCCCCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]- InChIKey
AYJUFPKLCRBSRW-UHFFFAOYSA-M- Molecular formula
- C14H23N2NaO3
- Average molar mass
- 290.33 g/mol
- Monoisotopic mass
- 290.16063688
Names & identifiers
- Preferred name
- Sodium 5-ethyl-6-hydroxy-5-(octan-2-yl)-2-oxo-2,5-dihydropyrimidin-4-olate
- IUPAC
- sodium 5-ethyl-5-octan-2-ylpyrimidin-3-ide-2,4,6-trione
Names & synonyms
66968-81-8DTXSID50985772Sodium 5-ethyl-6-hydroxy-5-(octan-2-yl)-2-oxo-2,5-dihydropyrimidin-4-olateRefChem:1098737DTXCID2014129635-Ethyl-5-(1-methylheptyl)barbituric acid sodium saltSodium 5-ethyl-5-(1-methylheptyl)barbiturateBARBITURIC ACID, 5-ETHYL-5-(1-METHYLHEPTYL)-, SODIUM SALT
Database identifiers
- CAS
66968-81-8- PubChem CID
- 23716013
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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