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3'-Deoxy-3'-fluoroinosine

CAT: 0013-GTR19215316-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215316-01Size:5 mg
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Description
This product line comprises fluoro- and 3'-modified nucleoside derivatives, which are essential small molecule tools for biochemical research. These analogs are widely utilized in antiviral and anticancer drug discovery, serving as critical probes and precursors in both in vitro enzymatic studies and in vivo pharmacological research.
CAS Number
117517-20-1
Field of Research
Cell Biology, Molecular Biology
Smiles
O[C@H]1[C@H] (N2C3=C (N=C2) C (=O) N=CN3) O[C@H] (CO) [C@H]1F
Molecular Formula
C10H11FN4O4
Molecular Weight
270.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3'-Deoxy-3'-fluoroinosine

structure given in first source

CAS Number117517-20-1
PubChem CID135503550
IUPAC Name9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Molecular FormulaC10H11FN4O4
Molecular Weight270.22
XLogP-0.8
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)F)O
InChI
InChI=1S/C10H11FN4O4/c11-5-4(1-16)19-10(7(5)17)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
POYFYFKHABGRAR-QYYRPYCUSA-N
Chemical Structure
2D Structure
2D structure of 3'-Deoxy-3'-fluoroinosine
CAS: 117517-20-1
CID: 135503550
Formula: C10H11FN4O4
MW: 270.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.22
XLogP3-0.8
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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