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2-Amino-2'-deoxyadenosine

CAT: 0926-NA06287-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-NA06287-01Size:25 g
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CAS Number
4546-70-7
Synonyms
9- (2-Deoxy-b-D-ribofuranosyI) -2,6-Diaminopurine;2,6-Diaminopurine 2'-deoxyriboside;2-Amino-2'-deoxy-D-adenosine
MDL Number
MFCD00047240
Smiles
C1[C@@H] ([C@H] (O[C@H]1N2C=NC3=C (N=C (N=C32) N) N) CO) O
Molecular Formula
C10H14N6O3
Molecular Weight
266.26 g/mol
Controlled
No

Chemical Information

2-Amino-2'-deoxyadenosine
CAS Number4546-70-7
PubChem CID97188
IUPAC Name(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H14N6O3
Molecular Weight266.26
XLogP-0.5
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]1N2C=NC3=C(N=C(N=C32)N)N)CO)O
InChI
InChI=1S/C10H14N6O3/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t4-,5+,6+/m0/s1
InChIKey
NOLHIMIFXOBLFF-KVQBGUIXSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-2'-deoxyadenosine
CAS: 4546-70-7
CID: 97188
Formula: C10H14N6O3
MW: 266.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.26
XLogP3-0.5
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