Basic information
- CAS
73-39-2- Standard SMILES
C=CCc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O- InChIKey
XUAFMQXKGPTTJN-UHFFFAOYSA-N- Molecular formula
- C12H16N2O5
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.10592162
Names & identifiers
- Preferred name
- 1-(2-Deoxypentofuranosyl)-4-hydroxy-5-(prop-2-en-1-yl)pyrimidin-2(1H)-one
- IUPAC
- 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
Names & synonyms
NSC80805NCIOpen2_004250DTXSID90993755NSC207110NSC-2071101-(2-Deoxypentofuranosyl)-4-hydroxy-5-(prop-2-en-1-yl)pyrimidin-2(1H)-one
Database identifiers
- CAS
73-39-2- PubChem CID
- 255359
- DTXSID
DTXSID90993755
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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