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N6-MethyladenosineN1-oxide

CAT: 0013-GTR19215356-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215356-01Size:5 mg
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Description
This collection features modified purine nucleosides, including 6-substituted and N-methylated derivatives, which serve as key research tools. These small molecules are widely utilized as antiviral agents and enzyme inhibitors in biochemical and pharmacological studies, both in vitro and in vivo.
CAS Number
113509-54-9
Field of Research
Cell Biology, Molecular Biology
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (NC) N (=O) =CN3) O[C@H] (CO) [C@H]1O
Molecular Formula
C11H15N5O5
Molecular Weight
297.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adenosine, N-methyl-, 1-oxide
CAS Number113509-54-9
PubChem CID10661693
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1-hydroxy-6-methyliminopurin-9-yl)oxolane-3,4-diol
Molecular FormulaC11H15N5O5
Molecular Weight297.27
XLogP-1.4
Topological Polar Surface Area136
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity460
SMILES
CN=C1C2=C(N=CN1O)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O5/c1-12-9-6-10(14-4-16(9)20)15(3-13-6)11-8(19)7(18)5(2-17)21-11/h3-5,7-8,11,17-20H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChIKey
WSNFPBJZRWYJBW-IOSLPCCCSA-N
Chemical Structure
2D Structure
2D structure of Adenosine, N-methyl-, 1-oxide
CAS: 113509-54-9
CID: 10661693
Formula: C11H15N5O5
MW: 297.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.27
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass297.10731860
Monoisotopic Mass297.10731860
Topological Polar Surface Area136 Ų
Heavy Atom Count21
Formal Charge0
Complexity460
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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