chempirical

Heavy water

D2OCAS 7789-20-020.03 g/mol

Open in Covalent MOL file
DOD

Properties

Molecular formula
D2O
Molar mass
20.03 g/mol
Exact mass
20.0231 Da
Density
1.1 g/mL
Melting point
3.81 °C
Boiling point
101.42 °C
logP
-0.82Crippen estimate
Polar surface area
31.5 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 227 ECHA notifiers. Aggregated from 227 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
7789-20-0
SMILES
[2H]O[2H]
InChIKey
XLYOFNOQVPJJNP-ZSJDYOACSA-N
InChI
InChI=1S/H2O/h1H2/i/hD2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • Water-d2
  • Water, heavy (D2O)
  • Deuterium oxide
  • Dideuterium oxide
  • Heavy water (D2O)
  • Heavy water-d2
  • Deuterium oxide (D2O)
  • Water-2H2
  • Deuterium oxide-d2
  • Dideuterium monoxide

Work with Heavy water

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Water7732-18-5

Similar compounds

Aluminum dioxide11092-32-350 % similar Actinium(III) oxide12002-61-850 % similar Americium dioxide12005-67-350 % similar Californium oxide (CfO2)12015-10-050 % similar Curium oxide (CmO2)12016-67-050 % similar Chromium(IV) oxide12018-01-850 % similar Iridium(IV) oxide12030-49-850 % similar Niobium monoxide12034-57-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia