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208338-09-4 | 1,3,2-Dioxathiolane-4,5-dimethanol, 4,5-dimethanesulfonate, 2,2-dioxide, (4R,5R)-
CAS No: 208338-09-4 Catalog No: AG002JN1 MDL No:
Product Description
Catalog Number:
AG002JN1
Chemical Name:
1,3,2-Dioxathiolane-4,5-dimethanol, 4,5-dimethanesulfonate, 2,2-dioxide, (4R,5R)-
CAS Number:
208338-09-4
Molecular Formula:
C6H12O10S3
Molecular Weight:
340.3485
IUPAC Name:
[(4R,5R)-5-(methylsulfonyloxymethyl)-2,2-dioxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
InChI:
InChI=1S/C6H12O10S3/c1-17(7,8)13-3-5-6(4-14-18(2,9)10)16-19(11,12)15-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChI Key:
SJWKJWVFMFJCBS-PHDIDXHHSA-N
SMILES:
CS(=O)(=O)OC[C@H]1OS(=O)(=O)O[C@@H]1COS(=O)(=O)C
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
339.959g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.332g/mol
Monoisotopic Mass:
339.959g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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