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3'-Deoxy-2'-O-methyladenosine

CAT: 0926-ND08558-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-ND08558-01Size:10 mg
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CAS Number
28361-08-2
Synonyms
3'-Deoxy-2'-O-methyl-D-adenosine;2'-O-Methyl-3'-deoxyadenosine
MDL Number
MFCD15145252
Smiles
COC1C[C@@H] (CO) O[C@H]1n2cnc3c (N) ncnc23
Molecular Formula
C11H15N5O3
Molecular Weight
265.27 g/mol
Controlled
No

Chemical Information

2'-O-Methyl-3'-deoxyadenosine
CAS Number28361-08-2
PubChem CID172642414
IUPAC Name[(2S,5R)-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methanol
Molecular FormulaC11H15N5O3
Molecular Weight265.27
XLogP-0.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity321
SMILES
COC1C[C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C11H15N5O3/c1-18-7-2-6(3-17)19-11(7)16-5-15-8-9(12)13-4-14-10(8)16/h4-7,11,17H,2-3H2,1H3,(H2,12,13,14)/t6-,7?,11+/m0/s1
InChIKey
XRYKHYKWOVOUDC-NSMOOJLNSA-N
Chemical Structure
2D Structure
2D structure of 2'-O-Methyl-3'-deoxyadenosine
CAS: 28361-08-2
CID: 172642414
Formula: C11H15N5O3
MW: 265.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight265.27
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass265.11748936
Monoisotopic Mass265.11748936
Topological Polar Surface Area108 Ų
Heavy Atom Count19
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes