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2-Trifluoromethyl adenosine

CAT: 0013-GTR19215181-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215181-01Size:5 mg
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Description
This product line comprises 8-substituted purine nucleosides and arabinonucleosides (ara-nucleosides), which are key small molecules for biochemical research. These analogs are widely utilized in vitro and in vivo to investigate nucleoside metabolism, antiviral mechanisms, and as potential tools in oncology and virology studies.
CAS Number
4627-40-1
Field of Research
Cell Biology, Molecular Biology, Pharmacology & Drug Discovery
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=C (C (F) (F) F) N3) O[C@H] (CO) [C@H]1O
Molecular Formula
C11H12F3N5O4
Molecular Weight
335.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Trifluoromethyl)adenosine
CAS Number4627-40-1
PubChem CID14430355
IUPAC Name(2R,3R,4S,5R)-2-[6-amino-2-(trifluoromethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC11H12F3N5O4
Molecular Weight335.24
XLogP-0.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity444
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(F)(F)F)N
InChI
InChI=1S/C11H12F3N5O4/c12-11(13,14)10-17-7(15)4-8(18-10)19(2-16-4)9-6(22)5(21)3(1-20)23-9/h2-3,5-6,9,20-22H,1H2,(H2,15,17,18)/t3-,5-,6-,9-/m1/s1
InChIKey
XZAXKLMYAMKNFC-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of 2-(Trifluoromethyl)adenosine
CAS: 4627-40-1
CID: 14430355
Formula: C11H12F3N5O4
MW: 335.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.24
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Exact Mass335.08413837
Monoisotopic Mass335.08413837
Topological Polar Surface Area140 Ų
Heavy Atom Count23
Formal Charge0
Complexity444
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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