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Merck
CN

613150

3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt

98 atom % D

Synonym(s):

2,2-Dimethyl-2-silapentane-5-sulfonate-d6 sodium salt, DSS-d6, Deuterated 3-(trimethylsilyl)-1-propanesulfonic acid sodium salt, Sodium 2-(trimethylsilyl)-1-propanesulfonate-d6

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About This Item

Linear Formula:
(CH3)3Si(CD2)3SO3Na
CAS Number:
284664-85-3
Molecular Weight:
224.36
NACRES:
NA.11
PubChem Substance ID:
24882112
UNSPSC Code:
12352106
MDL number:
MFCD03701634
Isotopic purity:
98 atom % D
Mass shift:
M+6
Form:
solid

Key Documents

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Product Name

3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt, 98 atom % D

InChI

1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1/i4D2,5D2,6D2;

SMILES string

[Na+].[2H]C([2H])(C([2H])([2H])[Si](C)(C)C)C([2H])([2H])S([O-])(=O)=O

InChI key

HWEXKRHYVOGVDA-CHBZFOKHSA-M

isotopic purity

98 atom % D

form

solid

technique(s)

NMR: suitable
bio NMR: suitable

mp

118-120 °C (lit.)

mass shift

M+6

storage temp.

room temp

Quality Level

200

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Application

In exometabolome analysis using 1H-NMR (nuclear magnetic resonance) spectroscopy, 3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt has been used as an internal standard for metabolite quantification. It has been used for the preparation of DMSO (dimethyl sulfoxide)/DSS solvent solution to make NMR leaf extract samples.

General description

3-(Trimethylsilyl)-1-propanesulfonic acid (also referred to as DSS (2,2-Dimethyl-2-silapentane-5-sulfonate)) is an internal standard for NMR (nuclear magnetic resonance) studies. It results in high intensity proton peaks which are easily identified. DSS also has negligible sensitivity towards pH and temperature changes.

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

11 - Combustible Solids

wgk

WGK 3

Regulatory Information

美国出口管控产品
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Certificates of Analysis (COA)

Lot/Batch Number
MBBD7313
MBBD3981
MBBC8579
MBBB0476V
EB1191

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Timothy D W Luke et al.
Metabolites, 10(6) (2020-06-19)
Disorders of energy metabolism, which can result from a failure to adapt to the period of negative energy balance immediately after calving, have significant negative effects on the health, welfare and profitability of dairy cows. The most common biomarkers of
Distinguishing Vaccinium species by chemical fingerprinting based on NMR spectra, validated with spectra collected in different laboratories.
Markus MA, et al.
Planta Medica, 80, 732-739 (2014)
Annual Reports on NMR Spectroscopy (2009)
Hunter N B Moseley et al.
BMC biology, 9, 37-37 (2011-06-02)
Stable isotope tracing is a powerful technique for following the fate of individual atoms through metabolic pathways. Measuring isotopic enrichment in metabolites provides quantitative insights into the biosynthetic network and enables flux analysis as a function of external perturbations. NMR
DSA: a new internal standard for NMR studies in aqueous solution.
Nowick JS, et al.
Organic Letters, 5, 3511-3513 (2003)
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