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2-Amino-2'-deoxy-2'-fluoroadenosine

CAT: 0024-sc-282866ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-282866ASize:100 mg
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CAS Number
134444-47-6

Chemical Information

2-Amino-2'-deoxy-2'-fluoroadenosine
CAS Number134444-47-6
PubChem CID9971101
IUPAC Name(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H13FN6O3
Molecular Weight284.25
XLogP-0.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity366
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N)N
InChI
InChI=1S/C10H13FN6O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(12)15-10(13)16-8(5)17/h2-4,6,9,18-19H,1H2,(H4,12,13,15,16)/t3-,4-,6-,9-/m1/s1
InChIKey
MHWHYOFBOWTAHZ-DXTOWSMRSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-2'-deoxy-2'-fluoroadenosine
CAS: 134444-47-6
CID: 9971101
Formula: C10H13FN6O3
MW: 284.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.25
XLogP3-0.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass284.10331646
Monoisotopic Mass284.10331646
Topological Polar Surface Area145 Ų
Heavy Atom Count20
Formal Charge0
Complexity366
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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