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607541

Sigma-Aldrich

2-Ketobutyric acid-13C4,3,3-d2 sodium salt hydrate

99 atom % 13C, 98 atom % D, 98% (CP)

Synonym(s):

α-Keto-butyric acid-4-13C4-3,3-d2 sodium, α-Ketobutyric acid-4-13C4-3,3-d2 sodium salt, 2-Oxobutanoic acid-13C4,3,3-d2 sodium salt, Sodium α-ketobutyrate-13C4,3,3-d2

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About This Item

Linear Formula:
13CH313CD213CO13CO2Na · xH2O
Molecular Weight:
130.05 (anhydrous basis)
MDL number:
MFCD04118215
UNSPSC Code:
12352106
PubChem Substance ID:
24881969
NACRES:
NA.12

isotopic purity

99 atom % 13C
98 atom % D

Quality Level

200

Assay

98% (CP)

form

solid

technique(s)

bio NMR: suitable

mp

210 °C (dec.) (lit.)

mass shift

M+6

SMILES string

O.[Na+].[2H][13C]([2H])([13CH3])[13C](=O)[13C]([O-])=O

InChI

1S/C4H6O3.Na.H2O/c1-2-3(5)4(6)7;;/h2H2,1H3,(H,6,7);;1H2/q;+1;/p-1/i1+1,2+1D2,3+1,4+1;;

InChI key

PVLJVKQSCAHPPR-WVMSAXHDSA-M

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Soumya P Behera et al.
Nature communications, 11(1), 5547-5547 (2020-11-05)
Methyl-NMR enables atomic-resolution studies of structure and dynamics of large proteins in solution. However, resonance assignment remains challenging. The problem is to combine existing structural informational with sparse distance restraints and search for the most compatible assignment among the permutations.

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