200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116653-28-2
116653-28-2 | 1,4-Butane-1,1,2,2,3,3,4,4-d8-diol, dimethanesulfonate (9CI)
CAS No: 116653-28-2 Catalog No: AG000CXJ MDL No:
Product Description
Catalog Number:
AG000CXJ
Chemical Name:
1,4-Butane-1,1,2,2,3,3,4,4-d8-diol, dimethanesulfonate (9CI)
CAS Number:
116653-28-2
Molecular Formula:
C6H6D8O6S2
Molecular Weight:
254.3511
IUPAC Name:
(1,1,2,2,3,3,4,4-octadeuterio-4-methylsulfonyloxybutyl) methanesulfonate
InChI:
InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3/i3D2,4D2,5D2,6D2
InChI Key:
COVZYZSDYWQREU-SQUIKQQTSA-N
SMILES:
C([2H])(C(OS(=O)(=O)C)([2H])[2H])(C(C(OS(=O)(=O)C)([2H])[2H])([2H])[2H])[2H]
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
8
Molecular Weight:
254.341g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.