2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-3-hydroxy-2-furanyl)-, trans-
Basic information
- CAS
71145-47-6- Standard SMILES
O=c1[nH]c(=O)n([C@H]2OCC[C@@H]2O)cc1F- InChIKey
LSPXWMNNFIJOEM-FSPLSTOPSA-N- Molecular formula
- C8H9FN2O4
- Average molar mass
- 216.17 g/mol
- Monoisotopic mass
- 216.05463493
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-3-hydroxy-2-furanyl)-, trans-
- IUPAC
- 5-fluoro-1-[(2S,3S)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
71145-47-6trans-1-(3-Hydroxy-2-tetrahydrofuranyl)-5-fluorouracil2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-3-hydroxy-2-furanyl)-, trans-trans-5-Fluoro-1-(tetrahydro-3-hydroxy-2-furanyl)-2,4(1H,3H)-pyrimidinedionetrans-3'-HydroxyftorafurDTXSID509914545-Fluoro-4-hydroxy-1-(3-hydroxyoxolan-2-yl)pyrimidin-2(1H)-one5-Fluoro-4-hydroxy-1-[(2S,3S)-3-hydroxyoxolan-2-yl]pyrimidin-2(1H)-one5-Fluoro-1-((2S,3S)-3-hydroxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
71145-47-6- PubChem CID
- 135490
- DTXSID
DTXSID50991454- Nikkaji
- J350.346A
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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