Home Other Building Blocks S-Adenosyl-L-methionine tosylate

S-Adenosyl-L-methionine tosylate

CAS No.:
52248-03-0
Catalog Number:
AG00DLEI
Molecular Formula:
C22H30N6O8S2
Molecular Weight:
570.6390
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Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
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Product Description
Catalog Number:
AG00DLEI
Chemical Name:
S-Adenosyl-L-methionine tosylate
CAS Number:
52248-03-0
Molecular Formula:
C22H30N6O8S2
Molecular Weight:
570.6390
MDL Number:
MFCD00063498
IUPAC Name:
[(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;4-methylbenzenesulfonate
InChI:
InChI=1S/C15H22N6O5S.C7H8O3S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2-5H,1H3,(H,8,9,10)/t7-,8+,10+,11+,14+,27?;/m0./s1
InChI Key:
VHPOFDUCFKOUHV-XKGORWRGSA-N
SMILES:
C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N.Cc1ccc(cc1)S(=O)(=O)[O-]
Properties
Complexity:
726  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
570.157g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
570.636g/mol
Monoisotopic Mass:
570.157g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
249A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties