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43157-50-2 | 2-Thioadenosine
CAS No: 43157-50-2 Catalog No: AG0039P2 MDL No:MFCD00171540
Product Description
Catalog Number:
AG0039P2
Chemical Name:
2-Thioadenosine
CAS Number:
43157-50-2
Molecular Formula:
C10H13N5O4S
Molecular Weight:
299.3063
MDL Number:
MFCD00171540
IUPAC Name:
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purine-2-thione
InChI:
InChI=1S/C10H13N5O4S/c11-7-4-8(14-10(20)13-7)15(2-12-4)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
InChI Key:
LTESOZAUMTUKQX-UUOKFMHZSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=S)nc2N
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
299.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
299.305g/mol
Monoisotopic Mass:
299.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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