Home Sulfos ((2R,3R,5R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate

((2R,3R,5R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate

CAS No.:
134877-42-2
Catalog Number:
AG007ZT4
Molecular Formula:
C20H18F2O8S
Molecular Weight:
456.4139
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Product Description
Catalog Number:
AG007ZT4
Chemical Name:
((2R,3R,5R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate
CAS Number:
134877-42-2
Molecular Formula:
C20H18F2O8S
Molecular Weight:
456.4139
MDL Number:
MFCD08460089
IUPAC Name:
[(2R,3R,5S)-3-benzoyloxy-4,4-difluoro-5-methylsulfonyloxyoxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C20H18F2O8S/c1-31(25,26)30-19-20(21,22)16(29-18(24)14-10-6-3-7-11-14)15(28-19)12-27-17(23)13-8-4-2-5-9-13/h2-11,15-16,19H,12H2,1H3/t15-,16-,19+/m1/s1
InChI Key:
LIAQHZDWFACWFK-MDZRGWNJSA-N
SMILES:
O=C(c1ccccc1)OC[C@H]1O[C@@H](C([C@@H]1OC(=O)c1ccccc1)(F)F)OS(=O)(=O)C
Properties
Complexity:
739  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
456.069g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.413g/mol
Monoisotopic Mass:
456.069g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties