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Antiviral agent 24

CAT: 0013-GTR19215049-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215049-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This product comprises 6-modified purine nucleoside derivatives, which serve as valuable small molecule tools for research. These compounds are utilized as inhibitors and probes in biochemical studies, including in vitro enzyme assays and investigations into nucleoside metabolism and signaling pathways.
CAS Number
23661-03-2
Field of Research
Infectious Disease & Virology
Smiles
OC[C@H]1O[C@H] ([C@H] (O) [C@@H]1O) n1cnc2c (NCc3cccc (c3) C (F) (F) F) ncnc12
Molecular Formula
C18H18F3N5O4
Molecular Weight
425.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N6-(3-Trifluoromethylbenzyl)adenosine
CAS Number23661-03-2
PubChem CID44423866
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[3-(trifluoromethyl)phenyl]methylamino]purin-9-yl]oxolane-3,4-diol
Molecular FormulaC18H18F3N5O4
Molecular Weight425.4
XLogP2
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity589
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C18H18F3N5O4/c19-18(20,21)10-3-1-2-9(4-10)5-22-15-12-16(24-7-23-15)26(8-25-12)17-14(29)13(28)11(6-27)30-17/h1-4,7-8,11,13-14,17,27-29H,5-6H2,(H,22,23,24)/t11-,13-,14-,17-/m1/s1
InChIKey
SDQKDCSBWUSBDO-LSCFUAHRSA-N
Chemical Structure
2D Structure
2D structure of N6-(3-Trifluoromethylbenzyl)adenosine
CAS: 23661-03-2
CID: 44423866
Formula: C18H18F3N5O4
MW: 425.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.4
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass425.13108856
Monoisotopic Mass425.13108856
Topological Polar Surface Area126 Ų
Heavy Atom Count30
Formal Charge0
Complexity589
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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