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8-Amino-2'-deoxyadenosine

CAT: 0931-TNU1233-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1233-01Size:1 mg
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CAS Number
13389-09-8
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
Nucleoside Derivatives - 8-Modified purine nucleosides; Amino nucleosides
Smiles
NC=1N(C=2C(N1)=C(N)N=CN2)[C@@H]3O[C@H](CO)[C@@H](O)C3
Molecular Formula
C10H14N6O3
Molecular Weight
266.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-Amino-2'-deoxyadenosine
CAS Number13389-09-8
PubChem CID97119
IUPAC Name(2R,3S,5R)-5-(6,8-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H14N6O3
Molecular Weight266.26
XLogP-0.9
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity334
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3N=C2N)N)CO)O
InChI
InChI=1S/C10H14N6O3/c11-8-7-9(14-3-13-8)16(10(12)15-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,15)(H2,11,13,14)/t4-,5+,6+/m0/s1
InChIKey
KHQCCEUMCUSZKM-KVQBGUIXSA-N
Chemical Structure
2D Structure
2D structure of 8-Amino-2'-deoxyadenosine
CAS: 13389-09-8
CID: 97119
Formula: C10H14N6O3
MW: 266.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.26
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass266.11273833
Monoisotopic Mass266.11273833
Topological Polar Surface Area145 Ų
Heavy Atom Count19
Formal Charge0
Complexity334
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

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