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C-AFG

CAT: 0013-GTR19211845-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211845-02Size:50 mg
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Description
C-AFG (CAS 110312-78-2) is a bioactive small molecule utilized in life science research. It serves as a research tool in biochemical studies, with applications in both in vitro enzyme assays and in vivo pharmacological models to investigate cellular signaling pathways.
CAS Number
110312-78-2
Smiles
O=C1C2=C (N (C=N2) [C@H]3C[C@@H] (CO) [C@H] (O) [C@H]3F) NC (N) =N1
Molecular Formula
C11H14FN5O3
Molecular Weight
283.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-amino-9-[(1S,2S,3S,4S)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CAS Number110312-78-2
PubChem CID135845086
IUPAC Name2-amino-9-[(1S,2S,3S,4S)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
Molecular FormulaC11H14FN5O3
Molecular Weight283.26
XLogP-1.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity448
SMILES
C1[C@H]([C@@H]([C@H]([C@H]1N2C=NC3=C2N=C(NC3=O)N)F)O)CO
InChI
InChI=1S/C11H14FN5O3/c12-6-5(1-4(2-18)8(6)19)17-3-14-7-9(17)15-11(13)16-10(7)20/h3-6,8,18-19H,1-2H2,(H3,13,15,16,20)/t4-,5-,6-,8-/m0/s1
InChIKey
RAXDGCQXNUHPMZ-TYQACLPBSA-N
Chemical Structure
2D Structure
2D structure of 2-amino-9-[(1S,2S,3S,4S)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CAS: 110312-78-2
CID: 135845086
Formula: C11H14FN5O3
MW: 283.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.26
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass283.10806749
Monoisotopic Mass283.10806749
Topological Polar Surface Area126 Ų
Heavy Atom Count20
Formal Charge0
Complexity448
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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