Compound: DEUTERIUM OXIDE
SMILES: O([2H])[2H]
InChIKey: XLYOFNOQVPJJNP-ZSJDYOACSA-N
Synonyms: DEUTERIUM OXIDE, 7789-20-0, Heavy water, Deuterated water, Water-d2, Dideuterium oxide, Heavy water (D2O), Water-d sub(2), DTXSID4051243, J65BV539M3, CHEBI:41981, Oxide, Deuterium, RefChem:5735, DTXCID3029865, 232-148-9, Deuterium oxide [USAN], MFCD00044636, (~2~H_2_)water, D2O, Deuterium oxide (USAN), Heavy water-d2, Water(sup 2)-H2, Deuterium oxide, 99.9 atom % D, 142473-50-5, Deuterium oxide (Water-d2, Heavy Water), Deuterium oxide, "100%", 99.96 atom % D, EINECS 232-148-9, Water, heavy (D2-O), UNII-J65BV539M3, AI3-52352, HSDB 8190, DEUTERIUM OXIDE 99.8ATOM%D, (sup 2)H, WATER H-2, SCHEMBL57022, DEUTERIUM OXIDE [MI], Deuterium Oxide >99.90%, [(?H)oxy](?H), CHEMBL1232306, Deuterium oxide, 60 atom % D, Deuterium oxide, 70 atom % D, Deuterium oxide, 99 atom % D, Deuterium oxide, 99.9 atom %D, Deuterium oxide >99.96 Atom %D, Water-d2 99.8atom%D, Heavy water, AKOS015904640, D214, SY001268, Deuterium oxide, filtered, 99.8 atom % D, W0002, W0004, D03703, H11944, Q155890, Deuterium oxide, 99.9 atom % D, ~150 dpm/mL tritium, Deuterium oxide, 100.0 atom % D, >=99.96 atom % D, Deuterium oxide, Vetec(TM) reagent grade, 99.8 atom % D, 2H, Deuterium oxide, 99.9 atom % D, contains 0.05 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt, Deuterium oxide, 99.9 atom % D, contains 0.75 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt, Deuterium oxide, 99.9 atom % D, contains 1 % (w/w) 3-(trimethylsilyl)-1-propanesulfonic acid, sodium salt (DSS), Deuterium oxide, 99.994 atom % D, contains 1 mM terephthalic acid disodium salt, 0.01 % (w/v) DSS-d6
Theoretical properties:
molecular_formula: H2O
molecular_weight: 20.028 g/mol
exact_mass: 20.023118175 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 1
topological_polar_surface_area: 1 Å²
isotope_atom_count: 2
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Odorless
boiling_point: 101.42 °C
melting_point: 3.81 °C; triple point 3.82 °C
density: 1.1044 at 25 °C. Temp of max density 11.23 °C; 1.1059 at 11.23 °C
vapor_pressure: VP: 1.999 kPa at 20 °C
Descriptions:
{"pubchem": "Dideuterium oxide is a water and a deuterated compound. It has a role as a NMR solvent and a NMR chemical shift reference compound.", "chebi": null, "chembl": "DEUTERIUM OXIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.", "wikipedia": "Heavy water (deuterium oxide, 2H2O, D2O) is a form of water in which hydrogen atoms are all deuterium (2H or D, also known as heavy hydrogen) rather than the common hydrogen-1 isotope (1H, also called protium) that makes up most of the hydrogen in normal water. The presence of the heavier isotope gives the water different nuclear properties, and the increase in mass gives it slightly different physical and chemical properties when compared to normal water.\nDeuterium is a heavy hydrogen isotope. Heavy water contains deuterium atoms and is used in nuclear reactors. Semiheavy water (HDO) is more common than pure heavy water, while heavy-oxygen water is denser but lacks unique properties. Tritiated water is radioactive due to tritium content.\nHeavy water has different physical properties from regular water, such as being 10.6% denser and having a higher melting point. Heavy water is less dissociated at a given temperature, and it does not have the slightly blue color of regular water. It can taste slightly sweeter than regular water, though not to a significant degree. Heavy water affects biological systems by altering enzymes, hydrogen bonds, and cell division in eukaryotes. It can be lethal to multicellular organisms at concentrations over 50%. However, some prokaryotes like bacteria can survive in a heavy hydrogen environment. Heavy water can be toxic to humans, but a large amount would be needed for poisoning to occur.\nThe most cost-effective process for producing heavy water is the Girdler sulfide process. Heavy water is used in various industries and is sold in different grades of purity. Some of its applications include nuclear magnetic resonance, infrared spectroscopy, neutron moderation, neutrino detection, metabolic rate testing, neutron capture therapy, and the production of radioactive materials such as plutonium and tritium. \n\n"}