1,4-Butane-1,1,2,2,3,3,4,4-d8-diol, dimethanesulfonate


Chemical Name: 1,4-Butane-1,1,2,2,3,3,4,4-d8-diol, dimethanesulfonate
CAS Number: 116653-28-2
Product Number: AG000CXJ(AGN-PC-0P9DB8)
Synonyms:
MDL No: MFCD06658695
Molecular Formula: C6H6D8O6S2
Molecular Weight: 254.3511

Identification/Properties


Computed Properties
Molecular Weight:
254.341g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
254.073g/mol
Monoisotopic Mass:
254.073g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
294
Isotope Atom Count:
8
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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