450510
Deuterium oxide
99.9 atom % D, contains 0.05 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt
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Synonym(s):
Heavy water, Water-d2
Empirical Formula (Hill Notation):
D2O
CAS Number:
Molecular Weight:
20.03
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21
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isotopic purity
99.9 atom % D
Quality Level
form
liquid
contains
0.05 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt
technique(s)
NMR: suitable
bp
101.4 °C (lit.)
mp
3.8 °C (lit.)
SMILES string
[2H]O[2H]
InChI
1S/H2O/h1H2/i/hD2
InChI key
XLYOFNOQVPJJNP-ZSJDYOACSA-N
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General description
Deuterium oxide (D2O, heavy water) is deuterated water containing 0.05wt.% 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt. It is safe and inexpensive source of deuterium (D) for the D/H exchange reactions. The equilibrium constant for the exchange of deuterium between hydrogen (H) and D2O molecules has been determined. Reports suggest that gelatin gels prepared in D2O show higher rigidity than gels prepared in water. The influence of temperature on the heat capacity of deuterium in crystalline and liquid state was studied calorimetrically and its melting point, enthalpy and entropy of fusion were determined. Its utility as a potential therapeutic agent in treating human pancreatic cancer has been studied.
Application
Deuterium oxide may be used in the following processes:
- As an NMR solvent.
- Preparation of β-deuterated alcohols.
- For the adsorption of neutrons in atomic reactors.
- Deuterium transfer agent in combination with hexamethyldisilane in the preparation of 1,2-dideuterioalkenes from alkynes.
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WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Regulatory Information
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Andrew J Jezewski et al.
Frontiers in cellular and infection microbiology, 11, 730413-730413 (2021-10-05)
Glycolysis controls cellular energy, redox balance, and biosynthesis. Antiglycolytic therapies are under investigation for treatment of obesity, cancer, aging, autoimmunity, and microbial diseases. Interrupting glycolysis is highly valued as a therapeutic strategy, because glycolytic disruption is generally tolerated in mammals.
Yu-Hsi Lin et al.
Nature metabolism, 2(12), 1413-1426 (2020-11-25)
Inhibiting glycolysis remains an aspirational approach for the treatment of cancer. We have previously identified a subset of cancers harbouring homozygous deletion of the glycolytic enzyme enolase (ENO1) that have exceptional sensitivity to inhibition of its redundant paralogue, ENO2, through
NMR spectroscopy of saccharide-doped PAGAT dosimeters.
Skyt PS, et al.
Journal of Physics. Conference Series, 573 (2015)
Ruthenium-Catalyzed Regioselective Deuteration of Alcohols at the β-Carbon Position with Deuterium Oxide.
Tse SKS, et al.
Chemistry (Weinheim An Der Bergstrasse, Germany), 17(49), 13918-13925 (2011)
Reduction of alkynes into 1, 2-dideuterioalkenes with hexamethyldisilane and deuterium oxide in the presence of a palladium catalyst.
Shirakawa E, et al.
Chemical Communications (Cambridge, England), 47, 5885-5886 (2005)
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