2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-3-fluoro-alpha-D-erythro-pentofuranosyl)-5-propyl-
Basic information
- CAS
120713-82-8- Standard SMILES
CCCc1cn([C@@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
RKVXJCQNTSYKJO-AEJSXWLSSA-N- Molecular formula
- C12H17FN2O4
- Average molar mass
- 272.27 g/mol
- Monoisotopic mass
- 272.11723519
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-3-fluoro-alpha-D-erythro-pentofuranosyl)-5-propyl-
- IUPAC
- 1-[(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-propylpyrimidine-2,4-dione
Names & synonyms
VSA 419120713-82-82,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-3-fluoro-alpha-D-erythro-pentofuranosyl)-5-propyl-1-(3-Fluoro-2,3-dideoxy-alpha-D-ribofuranosyl)-5-propyluracilVSA 409SCHEMBL9408673DTXSID601529731-(3-Fluoro-2,3-dideoxy-.alpha.-D-ribofuranosyl)-5-propyluracil1-(2,3-Dideoxy-3-fluoro-alpha-D-erythro-pentofuranosyl)-5-propylpyrimidine-2,4(1H,3H)-dione1-[(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-propyl-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-3-fluoro-.alpha.-D-erythro-pentofuranosyl)-5-propyl-
Database identifiers
- CAS
120713-82-8- PubChem CID
- 452255
- DTXSID
DTXSID60152973
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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