barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+)

BaO18Ta6Zr — CID 23437101

IUPACbarium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+)
SMILESO=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].[Ba+2].[Zr+4]
InChIInChI=1S/Ba.18O.6Ta.Zr/q+2;;;;;;;;;;;;;6*-1;;;;;;;+4
InChIKeyPXZUXLLEKMXTQO-UHFFFAOYSA-N
MW1602.22 g/mol
LogP-8.96
Rot. Bonds

About barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+)

barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+) (PubChem CID 23437101) has the molecular formula BaO18Ta6Zr and a molecular weight of 1602.22 g/mol. Its IUPAC name is barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+).

Molecular Properties

Compound Namebarium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+)
PubChem CID23437101
Molecular FormulaBaO18Ta6Zr
Molecular Weight1602.22 g/mol
Exact Mass1601.41
IUPAC Namebarium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+)
SMILESO=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].[Ba+2].[Zr+4]
InChIInChI=1S/Ba.18O.6Ta.Zr/q+2;;;;;;;;;;;;;6*-1;;;;;;;+4
InChIKeyPXZUXLLEKMXTQO-UHFFFAOYSA-N
XLogP-8.96
TPSA343.20 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001602.22
LogP ≤ 5-8.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+)?
The IUPAC name of barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+) (CID 23437101) is barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+).
What is the SMILES notation for barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+)?
The canonical SMILES for barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+) is O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].O=[Ta](=O)[O-].[Ba+2].[Zr+4].
What is the InChIKey of barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+)?
The InChIKey is PXZUXLLEKMXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.18O.6Ta.Zr/q+2;;;;;;;;;;;;;6*-1;;;;;;;+4.
What are the key properties of barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+)?
barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+) has a molecular weight of 1602.22 g/mol, XLogP of -8.96, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hexakis(oxido(dioxo)tantalum);zirconium(4+) is sourced from PubChem (CID 23437101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).