Home Sulfos 1,3,5-Tri-O-benzoyl-2-O-(trifluoromethanesulfonyl)-a-D-ribofuranose

1,3,5-Tri-O-benzoyl-2-O-(trifluoromethanesulfonyl)-a-D-ribofuranose

CAS No.:
97614-41-0
Catalog Number:
AG005YUS
Molecular Formula:
C27H21F3O10S
Molecular Weight:
594.5098
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Product Description
Catalog Number:
AG005YUS
Chemical Name:
1,3,5-Tri-O-benzoyl-2-O-(trifluoromethanesulfonyl)-a-D-ribofuranose
CAS Number:
97614-41-0
Molecular Formula:
C27H21F3O10S
Molecular Weight:
594.5098
MDL Number:
MFCD18643133
IUPAC Name:
[3,5-dibenzoyloxy-4-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C27H21F3O10S/c28-27(29,30)41(34,35)40-22-21(38-24(32)18-12-6-2-7-13-18)20(16-36-23(31)17-10-4-1-5-11-17)37-26(22)39-25(33)19-14-8-3-9-15-19/h1-15,20-22,26H,16H2
InChI Key:
HBSJRDYIAMPUCU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC1C(COC(=O)c2ccccc2)OC(C1OS(=O)(=O)C(F)(F)F)OC(=O)c1ccccc1
NSC Number:
714888
Properties
Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.081g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.51g/mol
Monoisotopic Mass:
594.081g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Properties