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Structure

2-(N-Morpholino)ethanesulfonic acid-d13

CAS
352534-94-2
Catalog Number
ACM352534942
Category
Other Products
Molecular Weight
208.31
Molecular Formula
C6D13NO4S

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Specification

Synonyms
MES-d13; 2-ethanesulfonic acid-d13
IUPAC Name
deuterio 1,1,2,2-tetradeuterio-2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethanesulfonate
InChI
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)/i1D2,2D2,3D2,4D2,5D2,6D2/hD
InChI Key
SXGZJKUKBWWHRA-ZPJQSATDSA-N
Complexity
214
Exact Mass
208.13812677
Formal Charge
0
Heavy Atom Count
12
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Isomeric SMILES
[2H]C1(C(OC(C(N1C([2H])([2H])C([2H])([2H])S(=O)(=O)O[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
Monoisotopic Mass
208.13812677
Rotatable Bond Count
3
Stability
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions
Room temperature
Topological Polar Surface Area
75.2 Ų
XLogP3-AA
-3.5
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