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N6-Methyl-2'-deoxyadenosine

CAT: 0024-sc-222031Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-222031Size:25 mg
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CAS Number
2002-35-9

Chemical Information

N6-Methyldeoxyadenosine

N6-Methyl-2'-deoxyadenosine is a purine 2'-deoxyribonucleoside.

CAS Number2002-35-9
PubChem CID168948
IUPAC Name(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
Molecular FormulaC11H15N5O3
Molecular Weight265.27
XLogP-0.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity321
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1
InChIKey
DYSDOYRQWBDGQQ-XLPZGREQSA-N
Chemical Structure
2D Structure
2D structure of N6-Methyldeoxyadenosine
CAS: 2002-35-9
CID: 168948
Formula: C11H15N5O3
MW: 265.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight265.27
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass265.11748936
Monoisotopic Mass265.11748936
Topological Polar Surface Area105 Ų
Heavy Atom Count19
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes