1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-,bis(4-methylbenzenesulfonate), (4R,5R)-


Chemical Name: 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-,bis(4-methylbenzenesulfonate), (4R,5R)-
CAS Number: 51064-65-4
Product Number: AG003BBZ(AGN-PC-0S9GQF)
Synonyms:
MDL No:
Molecular Formula: C21H26O8S2
Molecular Weight: 470.5563

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
470.551g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
8
Exact Mass:
470.107g/mol
Monoisotopic Mass:
470.107g/mol
Topological Polar Surface Area:
122A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
714
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319-H335-H315
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



In chemical synthesis, 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, 4,5-bis(4-methylbenzenesulfonate), (4R,5R)- serves as a versatile building block for the construction of complex organic molecules. Its unique properties make it an ideal reagent for forming carbon-carbon and carbon-oxygen bonds in a controlled and selective manner. This compound is particularly valuable in the production of pharmaceuticals, agrochemicals, and fine chemicals where precise structural manipulation is crucial for achieving desired biological activity or material properties. With its stereochemical configuration and reactive functionality, this compound offers chemists a powerful tool for designing and synthesizing novel compounds with tailored properties and functionalities.