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6-Thioguanosine

CAT: 0926-NT04480-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-NT04480-01Size:250 mg
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CAS Number
85-31-4
Synonyms
2-Amino-6-mercapto-9- (β-D-ribofuranosyl) purine;6-Mercaptoguanosine; (−) -2-Amino-6-mercaptopurine riboside
MDL Number
MFCD00149353
Smiles
C1=NC2=C (N1[C@H]3[C@@H] ([C@@H] ([C@H] (O3) CO) O) O) NC (=NC2=S) N
Molecular Formula
C10H13N5O4S
Molecular Weight
299.31 g/mol
Controlled
No

Chemical Information

Thioguanosine

2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione is a purine nucleoside.

CAS Number85-31-4
PubChem CID2724387
IUPAC Name2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Molecular FormulaC10H13N5O4S
Molecular Weight299.31
XLogP-1.2
Topological Polar Surface Area170
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity449
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=S)N
InChI
InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1
InChIKey
OTDJAMXESTUWLO-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of Thioguanosine
CAS: 85-31-4
CID: 2724387
Formula: C10H13N5O4S
MW: 299.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.31
XLogP3-1.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass299.06882509
Monoisotopic Mass299.06882509
Topological Polar Surface Area170 Ų
Heavy Atom Count20
Formal Charge0
Complexity449
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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