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5'-S-Methyl-5'-thioadenosine

CAT: 0013-GTR19269275Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269275Size:20 mg
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Description
5'-S-Methyl-5'-thioadenosine
CAS Number
2457-80-9
Purity
>=98%
Molecular Formula
C11H15N5O3S
Molecular Weight
297.3
Notes
For research use only.

Chemical Information

5'-Methylthioadenosine

5'-S-methyl-5'-thioadenosine is adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a human metabolite and an algal metabolite. It is functionally related to an adenosine.

CAS Number2457-80-9
PubChem CID439176
IUPAC Name(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Molecular FormulaC11H15N5O3S
Molecular Weight297.34
XLogP-0.3
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity352
SMILES
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
WUUGFSXJNOTRMR-IOSLPCCCSA-N
Chemical Structure
2D Structure
2D structure of 5'-Methylthioadenosine
CAS: 2457-80-9
CID: 439176
Formula: C11H15N5O3S
MW: 297.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight297.34
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass297.08956053
Monoisotopic Mass297.08956053
Topological Polar Surface Area145 Ų
Heavy Atom Count20
Formal Charge0
Complexity352
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