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N6-Benzyladenosine

CAT: 0931-T65346-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T65346-01Size:50 mg
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CAS Number
4294-16-0
Target
Apoptosis, Amino Acids and Derivatives, Adenosine Receptor
Related Pathways
Neuroscience, Metabolism, GPCR/G Protein, Apoptosis
Purity
0.9994
Bioactivity
N6-Benzyladenosine is an adenosine derivative widely used in biochemical experiments and drug synthesis research.
Smiles
O[C@H]1[C@H](N2C=3C(N=C2)=C(NCC4=CC=CC=C4)N=CN3)O[C@H](CO)[C@H]1O
Molecular Formula
C17H19N5O4
Molecular Weight
357.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzyladenosine

RN given refers to parent cpd

CAS Number4294-16-0
PubChem CID92208
IUPAC Name(2R,3R,4S,5R)-2-[6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC17H19N5O4
Molecular Weight357.4
XLogP1.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity466
SMILES
C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
InChIKey
MRPKNNSABYPGBF-LSCFUAHRSA-N
Chemical Structure
2D Structure
2D structure of Benzyladenosine
CAS: 4294-16-0
CID: 92208
Formula: C17H19N5O4
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass357.14370410
Monoisotopic Mass357.14370410
Topological Polar Surface Area126 Ų
Heavy Atom Count26
Formal Charge0
Complexity466
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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