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3-Deoxy-3-fluoroadenosine

CAT: 0013-GTR19243398-02Size: 1 gDry Ice: NoHazardous: No
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Description
3'-Deoxy-3'-fluoroadenosine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc.
CAS Number
75059-22-2
Purity
>98% (HPLC)
Smiles
Nc1ncnc2n (cnc12) [C@@H]1O[C@H] (CO) [C@@H] (F) [C@H]1O
Molecular Formula
C10H12FN5O3
Molecular Weight
269.23
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

3'-Fluoro-3'-deoxyadenosine

structure given in first source

CAS Number75059-22-2
PubChem CID122619
IUPAC Name(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H12FN5O3
Molecular Weight269.23
XLogP-0.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)F)O)N
InChI
InChI=1S/C10H12FN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChIKey
QCDAWXDDXYQEJJ-QYYRPYCUSA-N
Chemical Structure
2D Structure
2D structure of 3'-Fluoro-3'-deoxyadenosine
CAS: 75059-22-2
CID: 122619
Formula: C10H12FN5O3
MW: 269.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.23
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass269.09241742
Monoisotopic Mass269.09241742
Topological Polar Surface Area119 Ų
Heavy Atom Count19
Formal Charge0
Complexity338
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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