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N6-MethyladenosineN1-oxide

CAT: 0931-TNU0161-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0161-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113509-54-9
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
Nucleoside Derivatives –6-Modified purine nucleosides; N-Methylated nucleosides; Drugs and Inhibitors; Antiviral agent
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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