EcoDrugPlus


Synonyms	2H Deuterated water Deuterium oxide Heavy water (d2o) Water-d sub(2)
Status
Molecule Category	Free-form
UNII	J65BV539M3
EPA CompTox	DTXSID4051243

Synonyms

Deuterated water

Deuterium oxide

Heavy water (d2o)

Water-d sub(2)

Status

Molecule Category

Free-form

UNII

J65BV539M3

EPA CompTox

DTXSID4051243


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	XLYOFNOQVPJJNP-ZSJDYOACSA-N
Smiles	[2H]O[2H]
InChI	InChI=1S/H2O/h1H2/i/hD2

InChI Key

XLYOFNOQVPJJNP-ZSJDYOACSA-N

Smiles

[2H]O[2H]

InChI

InChI=1S/H2O/h1H2/i/hD2

Property Name	Value
Molecular Formula	H2O
Molecular Weight	20.03
AlogP	-0.82
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	31.5
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	1.0

Property Name

Value

Molecular Formula

H2O

Molecular Weight

20.03

AlogP

-0.82

Hydrogen Bond Acceptor

0.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

31.5

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

1.0

Resources	Reference
ChEBI	41981
ChEMBL	CHEMBL1232306
FDA SRS	J65BV539M3
PDB	DOD
PubChem	24602
SureChEMBL	SCHEMBL57022

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PDB

PubChem

SureChEMBL


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

DEUTERIUM OXIDE

Structure

Physicochemical Descriptors

Cross References