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2-Aminomethyl adenosine

CAT: 0013-GTR19215038-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215038-01Size:5 mg
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Description
2-Aminomethyl adenosine is a synthetic, 2-position-modified purine nucleoside analog. It serves as a valuable research tool in nucleotide chemistry and has been utilized in studies exploring nucleoside transport and metabolism in various biochemical and cellular assay systems.
CAS Number
2305415-79-4
Field of Research
Cell Biology, Molecular Biology, Pharmacology & Drug Discovery
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=C (CN) N3) O[C@H] (CO) [C@H]1O
Molecular Formula
C11H16N6O4
Molecular Weight
296.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 69909603
CAS Number2305415-79-4
PubChem CID69909603
IUPAC Name(2R,3R,4S,5R)-2-[6-amino-2-(aminomethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC11H16N6O4
Molecular Weight296.28
XLogP-2.2
Topological Polar Surface Area166
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity377
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CN)N
InChI
InChI=1S/C11H16N6O4/c12-1-5-15-9(13)6-10(16-5)17(3-14-6)11-8(20)7(19)4(2-18)21-11/h3-4,7-8,11,18-20H,1-2,12H2,(H2,13,15,16)/t4-,7-,8-,11-/m1/s1
InChIKey
MJKYAVDZVJFLAO-TZQXKBMNSA-N
Chemical Structure
2D Structure
2D structure of CID 69909603
CAS: 2305415-79-4
CID: 69909603
Formula: C11H16N6O4
MW: 296.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.28
XLogP3-2.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass296.12330301
Monoisotopic Mass296.12330301
Topological Polar Surface Area166 Ų
Heavy Atom Count21
Formal Charge0
Complexity377
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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