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607533

Sigma-Aldrich

2-Ketobutyric acid-4-13C,3,3,4,4,4-d5 sodium salt hydrate

48-70 atom % D (13CD3), 97 atom % D (CD2), 99 atom % 13C, 98% (CP)

Synonym(s):

α-Keto-butyric acid-4-13C,3,3,4,4,4-d5 sodium, α-Ketobutyric acid-4-13C,3,3,4,4,4-d5 sodium salt, 2-Oxobutanoic acid-4-13C.3,3,4,4,5-d5 sodium salt, Sodium α-ketobutyrate-4-13C,3,3,4,4,4-d5

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About This Item

Linear Formula:
13CD3CD2COCO2Na · xH2O
Molecular Weight:
130.09 (anhydrous basis)
MDL number:
MFCD05664358
UNSPSC Code:
12352106
PubChem Substance ID:
329759206
NACRES:
NA.12

isotopic purity

99 atom % 13C
48-70 atom % D (13CD3)
97 atom % D (CD2)

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])([2H])C([2H])([2H])C(=O)C([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+1D3,2D2;;

InChI key

PVLJVKQSCAHPPR-RWBNLZSCSA-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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
CX1695
SN0312

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Presenting 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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