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4'-Thioadenosine

CAT: 0013-GTR19215334-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215334-02Size:50 mg
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Description
4'-Thioadenosine is a synthetic thionucleoside analog used in biochemical research. It serves as a tool for studying nucleoside metabolism, enzyme inhibition, and has been investigated in vitro for its potential effects on viral replication and cellular processes.
CAS Number
2500-80-3
Field of Research
Cell Biology, Molecular Biology
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) S[C@H] (CO) [C@H]1O
Molecular Formula
C10H13N5O3S
Molecular Weight
283.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4'-Thioadenosine

structure given in first source

CAS Number2500-80-3
PubChem CID11832914
IUPAC Name(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol
Molecular FormulaC10H13N5O3S
Molecular Weight283.31
XLogP-0.3
Topological Polar Surface Area156
Hydrogen Bond Donor Count4
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](S3)CO)O)O)N
InChI
InChI=1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
SIGIJBMOORTVPB-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of 4'-Thioadenosine
CAS: 2500-80-3
CID: 11832914
Formula: C10H13N5O3S
MW: 283.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.31
XLogP3-0.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass283.07391047
Monoisotopic Mass283.07391047
Topological Polar Surface Area156 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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MBS58265792-(4-Methylbenzyl)thioadenosine
MBS58265812-(4-Cyanobenzyl)thioadenosine
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