Deuterium oxide - ≥99.9 atom% D , CAS No.7789-20-0

CAS: 7789-20-0 Cat. No.: D113904 Formula: D₂O Molecular Weight: 20.03 EC Number: 232-148-9 PubChem CID: 24602

GRADE & PURITY ≥99.9 atom% D

Synonyms

UNII-J65BV539M3 | W0002 | Deuterium oxide, '100%', 99.990 atom % D | AKOS015904640 | XLYOFNOQVPJJNP-ZSJDYOACSA-N | D03703 | DEUTERIUM OXIDE [MI] | Deuterium oxide, 60 atom % D | Deuterium oxide, 99.8 atom % D | (~2~H_2_)water | Deuterium oxide (USAN) | De

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

UNII-J65BV539M3 | W0002 | Deuterium oxide, '100%', 99.990 atom % D | AKOS015904640 | XLYOFNOQVPJJNP-ZSJDYOACSA-N | D03703 | DEUTERIUM OXIDE [MI] | Deuterium oxide, 60 atom % D | Deuterium oxide, 99.8 atom % D | (~2~H_2_)water | Deuterium oxide (USAN) | De

Specifications & Purity

≥99.9 atom% D

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Purity

≥99.9 atom% D

Names and Identifiers

Pubchem Sid

508814008

Canonical Smiles

O

IUPAC Name

deuterated water

InChIKey

XLYOFNOQVPJJNP-ZSJDYOACSA-N

INCHI

1S/H2O/h1H2/i/hD2

Isomeric SMILES

[2H]O[2H]

WGK Germany

3

RTECS

ZC0230000

Alternate CAS

7732-18-5（unlabelled）

PubChem CID

24602

Molecular Weight

20.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Homogeneous non-metal compounds
    • Class Homogeneous other non-metal compounds

• Kingdom: Inorganic compounds
• Superclass: Homogeneous non-metal compounds
• Class: Homogeneous other non-metal compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Homogeneous other non-metal compounds
• Alternative Parents: Not available
• Molecular Framework: Not available
• Substituents: Homogeneous other non metal
• Description: This compound belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
• External Descriptors: water

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Refractive Index: 1.328
• Boil Point(°C): 101.4°C
• Melt Point(°C): 3.8°C
• Molecular Weight: 20.028 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 20.0231 Da
• Monoisotopic Mass: 20.0231 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 1
• Formal Charge: 0
• Complexity: 0.000
• Isotope Atom Count: 2
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1