3,4-Di-O-(methanesulfonyl)hexitol structure

3,4-Di-O-(methanesulfonyl)hexitol

(1,2,5,6-tetrahydroxy-4-methylsulfonyloxyhexan-3-yl) methanesulfonate

Also Known As: NCIOpen2_009169|3,4-bis-o-(methylsulfonyl)hexitol|3,4-Di-O-(methanesulfonyl)hexitol|(1,2,5,6-tetrahydroxy-4-methylsulfonyloxyhexan-3-yl) methanesulfonate

CAS: 20706-72-3
Molecular Formula C8H18O10S2
Molecular Weight 338.03415 g/mol
LogP -3.4
Topological Polar Surface Area 184.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
Rotatable Bonds 9
Exact Mass 338.03415
Monoisotopic Mass 338.03415
Heavy Atoms 20
Complexity 426.0

Chemical Identifiers

CAS Number 20706-72-3
SMILES CS(=O)(=O)OC(C(CO)O)C(C(CO)O)OS(=O)(=O)C
InChIKey VGFGPWKIJVCELG-UHFFFAOYSA-N

Product Overview

3,4-Di-O-(methanesulfonyl)hexitol (CAS 20706-72-3), with molecular formula C8H18O10S2 and molecular weight 338.03415 g/mol. IUPAC: (1,2,5,6-tetrahydroxy-4-methylsulfonyloxyhexan-3-yl) methanesulfonate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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