1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethylcytosine
Basic information
- CAS
95740-17-3- Standard SMILES
CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)nc1N- InChIKey
QBSJDBXQJJKDOI-IBCQBUCCSA-N- Molecular formula
- C11H16FN3O4
- Average molar mass
- 273.26 g/mol
- Monoisotopic mass
- 273.11248416
Names & identifiers
- Preferred name
- 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethylcytosine
- IUPAC
- 4-amino-5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- English name
- 4-amino-5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- Molecular formula
- C11H16FN3O4
- Molecular weight
- 0
Names & synonyms
95740-17-31-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethylcytosine4-Amino-1-(2-Deoxy-2-Fluoro-beta-D-Arabinofuranosyl)-5-Ethyl-2(1H)-PyrimidinoneCHEMBL2048646SCHEMBL10885781DTXSID402419501-(2-Deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-5-ethylcytosine2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)-5-ethyl-4-Amino-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethylpyrimidin-2(1H)-one4-amino-5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-pyrimidin-2-one1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-ethylcytosine
Show more names
2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-ethyl-4-amino-5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Database identifiers
- CAS
95740-17-3- PubChem CID
- 514804
- DTXSID
DTXSID40241950- ChEMBL
CHEMBL2048646
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 440
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Related reactions
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Compound notes
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