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2'-Deoxy-2-fluoroadenosine

CAT: 0926-ND29528-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-ND29528-01Size:250 mg
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CAS Number
21679-12-9
Synonyms
5- (6-amino-2-fluoro-purin-9-yl) -2-hydroxymethyl-tetrahydro-furan-3-ol
MDL Number
MFCD03411337
Smiles
C1[C@@H] ([C@H] (O[C@H]1N2C=NC3=C (N=C (N=C32) F) N) CO) O
Molecular Formula
C10H12FN5O3
Molecular Weight
269.23 g/mol
Controlled
No

Chemical Information

2'-Deoxy-2-fluoroadenosine

2'-deoxy-2-fluoroadenosine is a member of adenosines and an organofluorine compound.

CAS Number21679-12-9
PubChem CID447864
IUPAC Name(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H12FN5O3
Molecular Weight269.23
XLogP0.3
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)F)N)CO)O
InChI
InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
InChIKey
ZWPYUXAXLRFWQC-KVQBGUIXSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxy-2-fluoroadenosine
CAS: 21679-12-9
CID: 447864
Formula: C10H12FN5O3
MW: 269.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.23
XLogP30.3
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 Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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