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GLUCOSE PENTASULFATE, POTASSIUM SALT, TECHNICAL GRADE

CAS No.:
359435-44-2
Catalog Number:
AG00C9FT
Molecular Formula:
C6H7K5O21S5
Molecular Weight:
770.9237
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Product Description
Catalog Number:
AG00C9FT
Chemical Name:
GLUCOSE PENTASULFATE, POTASSIUM SALT, TECHNICAL GRADE
CAS Number:
359435-44-2
Molecular Formula:
C6H7K5O21S5
Molecular Weight:
770.9237
MDL Number:
MFCD00269998
IUPAC Name:
pentapotassium;[(2R,3R,4S,5R)-3,4,5,6-tetrasulfonatooxyoxan-2-yl]methyl sulfate
InChI:
InChI=1S/C6H12O21S5.5K/c7-28(8,9)22-1-2-3(24-29(10,11)12)4(25-30(13,14)15)5(26-31(16,17)18)6(23-2)27-32(19,20)21;;;;;/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21);;;;;/q;5*+1/p-5/t2-,3-,4+,5-,6?;;;;;/m1...../s1
InChI Key:
PWKOEMUICVNKKC-LLXKGFLCSA-I
SMILES:
[O-]S(=O)(=O)OC1O[C@H](COS(=O)(=O)[O-])[C@H]([C@@H]([C@H]1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+]
Properties
Complexity:
1100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
769.627g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
21  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
770.893g/mol
Monoisotopic Mass:
769.627g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
383A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties