gallium;sodium;barium(2+);diborate

B2BaGaNaO6 — CID 174813964

IUPACgallium;sodium;barium(2+);diborate
SMILES[Ba+2].[Ga+3].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/2BO3.Ba.Ga.Na/c2*2-1(3)4;;;/q2*-3;+2;+3;+1
InChIKeyXQWQZABIZAOZTF-UHFFFAOYSA-N
MW347.66 g/mol
LogP-11.65
Rot. Bonds

About gallium;sodium;barium(2+);diborate

gallium;sodium;barium(2+);diborate (PubChem CID 174813964) has the molecular formula B2BaGaNaO6 and a molecular weight of 347.66 g/mol. Its IUPAC name is gallium;sodium;barium(2+);diborate.

Molecular Properties

Compound Namegallium;sodium;barium(2+);diborate
PubChem CID174813964
Molecular FormulaB2BaGaNaO6
Molecular Weight347.66 g/mol
Exact Mass347.81
IUPAC Namegallium;sodium;barium(2+);diborate
SMILES[Ba+2].[Ga+3].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/2BO3.Ba.Ga.Na/c2*2-1(3)4;;;/q2*-3;+2;+3;+1
InChIKeyXQWQZABIZAOZTF-UHFFFAOYSA-N
XLogP-11.65
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.66
LogP ≤ 5-11.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze gallium;sodium;barium(2+);diborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trisodium;borate;trihydrate
CID 141011813
CID 21430838
CID 21430838
sodium;tin(2+);borate
CID 174594424
tristrontium;tris(barium(2+));tetraborate
CID 173079299
trisodium;hydron;diborate
CID 173221263
gallium;yttrium(3+);diborate
CID 173246094
dodecasodium;tetraborate;decahydrate
CID 86618040
tris(barium(2+));diborate;dihydrate
CID 157172386
dodecasodium;hydrogen peroxide;tetraborate
CID 174379547
magnesium;sodium;borate;hydrate
CID 173077041
magnesium;strontium;barium(2+);borate
CID 22013254
barium(2+);titanium;borate;tetrahydroxide
CID 22597291

Frequently Asked Questions

What is the IUPAC name of gallium;sodium;barium(2+);diborate?
The IUPAC name of gallium;sodium;barium(2+);diborate (CID 174813964) is gallium;sodium;barium(2+);diborate.
What is the SMILES notation for gallium;sodium;barium(2+);diborate?
The canonical SMILES for gallium;sodium;barium(2+);diborate is [Ba+2].[Ga+3].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].
What is the InChIKey of gallium;sodium;barium(2+);diborate?
The InChIKey is XQWQZABIZAOZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2BO3.Ba.Ga.Na/c2*2-1(3)4;;;/q2*-3;+2;+3;+1.
What are the key properties of gallium;sodium;barium(2+);diborate?
gallium;sodium;barium(2+);diborate has a molecular weight of 347.66 g/mol, XLogP of -11.65, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;sodium;barium(2+);diborate is sourced from PubChem (CID 174813964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).