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GLUTATHIONESULFONIC ACID

CAS No.:
3773-07-7
Catalog Number:
AG00CIKC
Molecular Formula:
C10H17N3O9S
Molecular Weight:
355.3217
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Product Description
Catalog Number:
AG00CIKC
Chemical Name:
GLUTATHIONESULFONIC ACID
CAS Number:
3773-07-7
Molecular Formula:
C10H17N3O9S
Molecular Weight:
355.3217
MDL Number:
MFCD00057929
IUPAC Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1
InChI Key:
QGWRMTHFAZVWAM-WDSKDSINSA-N
SMILES:
O=C(N[C@H](C(=O)NCC(=O)O)CS(=O)(=O)O)CC[C@@H](C(=O)O)N
Properties
Complexity:
569  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
355.069g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
355.318g/mol
Monoisotopic Mass:
355.069g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.9  
Properties