Home Sulfos 1,4-Butane-1,1,2,2,3,3,4,4-d8-diol, dimethanesulfonate (9CI)

1,4-Butane-1,1,2,2,3,3,4,4-d8-diol, dimethanesulfonate (9CI)

CAS No.:
116653-28-2
Catalog Number:
AG000CXJ
Molecular Formula:
C6H6D8O6S2
Molecular Weight:
254.3511
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>8</sub>)
1 week
United States
$125
- +
5mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>8</sub>)
1 week
United States
$380
- +
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
MDL Number:
MFCD06658695
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  
Properties