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83546-42-3

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Basic Information
CAS No.: 83546-42-3
Name: 2'-Fluoro-5-ethylarabinosyluracil
Article Data: 4
Molecular Structure:
Molecular Structure of 83546-42-3 (2'-Fluoro-5-ethylarabinosyluracil)
Formula: C11H15 F N2 O5
Molecular Weight: 274.249
Synonyms: FEAU
Density: 1.49 g/cm3
PSA: 124.78000
LogP: -2.12370
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Chemistry

Molecule structure of 2'-Fluoro-5-ethylarabinosyluracil (CAS NO.83546-42-3):

IUPAC Name: 5-Ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular Weight: 274.245603 [g/mol]
Molecular Formula: C11H15FN2O5 
Index of Refraction: 1.582
Molar Refractivity: 61.17 cm3
Molar Volume: 183.2 cm3
Polarizability: 24.25×10-24 cm3
Surface Tension: 62.7 dyne/cm
Density: 1.49 g/cm3
XLogP3-AA: -0.5
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 274.0965
MonoIsotopic Mass: 274.0965
Topological Polar Surface Area: 99.1
Heavy Atom Count: 19
Complexity: 427
Canonical SMILES: CCC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F
Isomeric SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
InChI: InChI=1S/C11H15FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
InChIKey of 2'-Fluoro-5-ethylarabinosyluracil (CAS NO.83546-42-3): SWFJAJRDLUUIOA-IBCQBUCCSA-N

Specification

 2'-Fluoro-5-ethylarabinosyluracil (CAS NO.83546-42-3) is also named as 1-(2-Deoxy-2-fluoroarabinofuranosyl)-5-ethyluracil ; 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethyluracil ; 1-Dfafeu ; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethyl ; 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethylpyrimidine-2,4(1H,3H)-dione ; 2'-Fluoro-5-ethyl-beta-D-arabinofuranosyluracil ; 5-Ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione .