Home Other Building Blocks S-ADENOSYL-L-METHIONINE IODIDE SALT

S-ADENOSYL-L-METHIONINE IODIDE SALT

CAS No.:
3493-13-8
Catalog Number:
AG00BZEQ
Molecular Formula:
C15H23IN6O5S
Molecular Weight:
526.3498
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Product Description
Catalog Number:
AG00BZEQ
Chemical Name:
S-ADENOSYL-L-METHIONINE IODIDE SALT
CAS Number:
3493-13-8
Molecular Formula:
C15H23IN6O5S
Molecular Weight:
526.3498
MDL Number:
MFCD00043192
IUPAC Name:
[(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;iodide
InChI:
InChI=1S/C15H22N6O5S.HI/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;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1H/t7-,8+,10+,11+,14+,27?;/m0./s1
InChI Key:
XQMWYLXPEGFCFT-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.[I-]
EC Number:
222-486-5
Properties
Complexity:
533  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
526.05g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
526.35g/mol
Monoisotopic Mass:
526.05g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties