Basic information
- CAS
87782-49-8- Standard SMILES
C=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O- InChIKey
XPLOHHLOYRUBAI-IBCQBUCCSA-N- Molecular formula
- C11H13FN2O5
- Average molar mass
- 272.23 g/mol
- Monoisotopic mass
- 272.08084968
Overview
RN given for (beta-D)-isomer
Names & identifiers
- Preferred name
- 1-(2-Deoxy-(2-fluoroarabinofuranosyl))-5-vinyluracil
- IUPAC
- 5-ethenyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- English name
- 1-(2-deoxy-(2-fluoroarabinofuranosyl))-5-vinyluracil
- Molecular formula
- C11H13FN2O5
- Molecular weight
- 272.23
Names & synonyms
FVAU87782-49-81-(2-Deoxy-(2-fluoroarabinofuranosyl))-5-vinyluracilRefChem:741325-ethenyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneCHEMBL2368298SCHEMBL307265121-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-vinyl-1H-pyrimidine-2,4-dione1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-vinyl-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-ethenyl-
Database identifiers
- CAS
87782-49-8- PubChem CID
- 174657
- ChEMBL
CHEMBL2368298
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 9.07 · 9.07±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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