Thymine lactone
Basic information
- CAS
68322-90-7- Standard SMILES
C=C1CC(C)(Cn2cc(C)c(=O)[nH]c2=O)OC1=O- InChIKey
JSCACTJRJZNNQC-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- Thymine lactone
- IUPAC
- 5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidine-2,4-dione
Names & synonyms
Thymine lactone68322-90-7CHEMBL3276957DTXSID709878594-Hydroxy-5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidin-2(1H)-one
Database identifiers
- CAS
68322-90-7- PubChem CID
- 3052003
- DTXSID
DTXSID70987859- ChEMBL
CHEMBL3276957
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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