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3'-Azido-3'-deoxyadenosine

CAT: 0013-GTR19152433Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19152433Size:5 mg
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Description
3'-Azido-3'-deoxyadenosine
CAS Number
58699-62-0
Purity
95% (HPLC)
Form
Solid; Color: white to off-white
Smiles
Nc1c2c (n (cn2) [C@@H]2O[C@H] (CO) [C@@H] (N=[N+]=[N-]) [C@H]2O) ncn1
Molecular Formula
C10H12N8O3
Molecular Weight
Theoretical MW: 292.25 g/mol; Detected MW: 292.10 g/mol
Storage Conditions
Store at -20 C
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: max 258 nm, 15.4 L mmol-1 cm-1 (Tris-HCl, pH 7.5) .

Chemical Information

3'-Azido-3'-deoxyadenosine

structure given in first source

CAS Number58699-62-0
PubChem CID5273012
IUPAC Name(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H12N8O3
Molecular Weight292.25
XLogP-0.6
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity433
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N=[N+]=[N-])O)N
InChI
InChI=1S/C10H12N8O3/c11-8-6-9(14-2-13-8)18(3-15-6)10-7(20)5(16-17-12)4(1-19)21-10/h2-5,7,10,19-20H,1H2,(H2,11,13,14)/t4-,5-,7-,10-/m1/s1
InChIKey
HTWSTKVLFZRAPM-QYYRPYCUSA-N
Chemical Structure
2D Structure
2D structure of 3'-Azido-3'-deoxyadenosine
CAS: 58699-62-0
CID: 5273012
Formula: C10H12N8O3
MW: 292.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.25
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass292.10323627
Monoisotopic Mass292.10323627
Topological Polar Surface Area134 Ų
Heavy Atom Count21
Formal Charge0
Complexity433
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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