EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	5SE5SRJ05N
EPA CompTox	DTXSID30631164

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

5SE5SRJ05N

EPA CompTox

DTXSID30631164


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


InChI Key	JXOXZJCHHKIXMI-UHFFFAOYSA-N
Smiles	O.[Ba++].[O-]B=O.[O-]B=O
InChI	InChI=1S/2BO2.Ba.H2O/c22-1-3;;/h;;;1H2/q2-1;+2;

InChI Key

JXOXZJCHHKIXMI-UHFFFAOYSA-N

Smiles

O.[Ba++].[O-]B=O.[O-]B=O

InChI

InChI=1S/2BO2.Ba.H2O/c2*2-1-3;;/h;;;1H2/q2*-1;+2;

Property Name	Value
Molecular Formula	B2BaH2O5
Molecular Weight	241.91
AlogP	-4.58
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	111.76
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

B2BaH2O5

Molecular Weight

241.91

AlogP

-4.58

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

111.76

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	26124-86-7
NORMAN SUSDAT
FDA SRS	5SE5SRJ05N
PubChem	23165673

Resources

Reference

CAS NUMBER

26124-86-7

NORMAN SUSDAT

FDA SRS

5SE5SRJ05N

PubChem

23165673


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).

BARIUM METABORATE

Structure

Physicochemical Descriptors

Cross References