Home Sulfos ((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)

((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)

CAS No.:
51064-65-4
Catalog Number:
AG003BBZ
Molecular Formula:
C21H26O8S2
Molecular Weight:
470.5563
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Product Description
Catalog Number:
AG003BBZ
Chemical Name:
((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)
CAS Number:
51064-65-4
Molecular Formula:
C21H26O8S2
Molecular Weight:
470.5563
MDL Number:
MFCD00063235
IUPAC Name:
[(4R,5R)-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/m1/s1
InChI Key:
KPFDKWNWYAXRNJ-WOJBJXKFSA-N
SMILES:
CC1(C)O[C@@H]([C@H](O1)COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C
EC Number:
256-943-5
Properties
Complexity:
714  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
470.107g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.551g/mol
Monoisotopic Mass:
470.107g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Water-soluble phosphines. 17.(1) novel water-soluble secondary and tertiary phosphines with disulfonated 1,1'-biphenyl backbones and dibenzophosphole moieties. Inorganic chemistry 20021007
Properties