596418
2-Keto-3-(methyl-d3)-butyric acid-1,2,3,4-13C4 sodium salt
98 atom % D, 99 atom % 13C
Synonym(s):
α-Keto-3-(methyl-d3)-butyric acid-1,2,3,4-13C4 sodium, α-Ketoisovaleric acid-13C4,d3 sodium salt, 2-Ketoisovaleric acid-13C4,d3 sodium salt, 3-Methyl-d3-2-oxobutanoic acid-13C4 sodium salt, Sodium α-ketoisovalerate-3-(methyl-d3),1,2,3,4-13C4
About This Item
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isotopic purity
99 atom % 13C
98 atom % D
Quality Level
form
solid
technique(s)
bio NMR: suitable
mp
227-230 °C (lit.) (lit.)
mass shift
M+7
SMILES string
[Na+].[2H]C([2H])([2H])[13CH]([13CH3])[13C](=O)[13C]([O-])=O
InChI
1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1D3,2+1,3+1,4+1,5+1;
InChI key
WIQBZDCJCRFGKA-SSBGHZRHSA-M
Packaging
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
Certificates of Analysis (COA)
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Articles
Sigma-Aldrich presents an article about the selective protonation of methyl groups in highly deuterated proteins. In which the structural NMR studies of small proteins, a maximum number of proton chemical shifts are usually assigned and NOEs connecting large numbers of sites are subsequently quantified in terms of distance restraints that are then used to obtain an ensemble of structures.
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