dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium)

Al2Ba2O15Zr5 — CID 173228508

IUPACdialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium)
SMILESO=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].[Al+3].[Al+3].[Ba+2].[Ba+2]
InChIInChI=1S/2Al.2Ba.15O.5Zr/q2*+3;2*+2;;;;;;10*-1;;;;;
InChIKeyVNBMDZAYKXUYOW-UHFFFAOYSA-N
MW1024.73 g/mol
LogP-14.02
Rot. Bonds

About dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium)

dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium) (PubChem CID 173228508) has the molecular formula Al2Ba2O15Zr5 and a molecular weight of 1024.73 g/mol. Its IUPAC name is dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium).

Molecular Properties

Compound Namedialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium)
PubChem CID173228508
Molecular FormulaAl2Ba2O15Zr5
Molecular Weight1024.73 g/mol
Exact Mass1019.22
IUPAC Namedialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium)
SMILESO=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].[Al+3].[Al+3].[Ba+2].[Ba+2]
InChIInChI=1S/2Al.2Ba.15O.5Zr/q2*+3;2*+2;;;;;;10*-1;;;;;
InChIKeyVNBMDZAYKXUYOW-UHFFFAOYSA-N
XLogP-14.02
TPSA315.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.73
LogP ≤ 5-14.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium)?
The IUPAC name of dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium) (CID 173228508) is dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium).
What is the SMILES notation for dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium)?
The canonical SMILES for dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium) is O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].[Al+3].[Al+3].[Ba+2].[Ba+2].
What is the InChIKey of dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium)?
The InChIKey is VNBMDZAYKXUYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.2Ba.15O.5Zr/q2*+3;2*+2;;;;;;10*-1;;;;;.
What are the key properties of dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium)?
dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium) has a molecular weight of 1024.73 g/mol, XLogP of -14.02, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;bis(barium(2+));pentakis(dioxido(oxo)zirconium) is sourced from PubChem (CID 173228508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).