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156-72-9

156-72-9 | Methanediol, 1,1-dimethanesulfonate

CAS No: 156-72-9 Catalog No: AG001OEZ MDL No:MFCD01715478

Product Description

Catalog Number:
AG001OEZ
Chemical Name:
Methanediol, 1,1-dimethanesulfonate
CAS Number:
156-72-9
Molecular Formula:
C3H8O6S2
Molecular Weight:
204.2220
MDL Number:
MFCD01715478
IUPAC Name:
methylsulfonyloxymethyl methanesulfonate
InChI:
InChI=1S/C3H8O6S2/c1-10(4,5)8-3-9-11(2,6)7/h3H2,1-2H3
InChI Key:
IQLZWWDXNXZGPK-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCOS(=O)(=O)C
NSC Number:
171337

Properties

Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.976g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.211g/mol
Monoisotopic Mass:
203.976g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

Literature

Title Journal
Minor groove orientation of the KWKK peptide tethered via the N-terminal amine to the acrolein-derived 1,N2-gamma-hydroxypropanodeoxyguanosine lesion with a trimethylene linkage. Biochemistry 20100727

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