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2'-Deoxy-2'-fluoroinosine

CAT: 0013-GTR19213985-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213985-01Size:5 mg
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Description
2'-Deoxy-2'-fluoroinosine is a 2'-fluorine-modified nucleoside analog. It serves as a valuable research tool in biochemical studies, particularly for investigating RNA structure and function, and has been explored in the development of antiviral and anticancer agents in vitro.
CAS Number
80049-87-2
Field of Research
Cell Biology, Molecular Biology
Smiles
OC[C@H]1O[C@H] ([C@H] (F) [C@@H]1O) n1cnc2c1nc[nH]c2=O
Molecular Formula
C10H11FN4O4
Molecular Weight
270.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2'-Deoxy-2'-fluoroinosine
CAS Number80049-87-2
PubChem CID135435172
IUPAC Name9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Molecular FormulaC10H11FN4O4
Molecular Weight270.22
XLogP-0.3
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity409
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C10H11FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-5,7,10,16-17H,1H2,(H,12,13,18)/t4-,5-,7-,10-/m1/s1
InChIKey
NRVOTDBYJXFINS-QYYRPYCUSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxy-2'-fluoroinosine
CAS: 80049-87-2
CID: 135435172
Formula: C10H11FN4O4
MW: 270.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.22
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass270.07643301
Monoisotopic Mass270.07643301
Topological Polar Surface Area109 Ų
Heavy Atom Count19
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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