dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))

Al2Ba2Ca2O7 — CID 24834218

IUPACdialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))
SMILES[Al+3].[Al+3].[Ba+2].[Ba+2].[Ca+2].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/2Al.2Ba.2Ca.7O/q2*+3;4*+2;7*-2
InChIKeyKUHPRBFPNQUDIW-UHFFFAOYSA-N
MW520.77 g/mol
LogP-3.12
Rot. Bonds

About dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))

dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-)) (PubChem CID 24834218) has the molecular formula Al2Ba2Ca2O7 and a molecular weight of 520.77 g/mol. Its IUPAC name is dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-)).

Molecular Properties

Compound Namedialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))
PubChem CID24834218
Molecular FormulaAl2Ba2Ca2O7
Molecular Weight520.77 g/mol
Exact Mass521.66
IUPAC Namedialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))
SMILES[Al+3].[Al+3].[Ba+2].[Ba+2].[Ca+2].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/2Al.2Ba.2Ca.7O/q2*+3;4*+2;7*-2
InChIKeyKUHPRBFPNQUDIW-UHFFFAOYSA-N
XLogP-3.12
TPSA199.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.77
LogP ≤ 5-3.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-)) 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 dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))?
The IUPAC name of dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-)) (CID 24834218) is dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-)).
What is the SMILES notation for dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))?
The canonical SMILES for dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-)) is [Al+3].[Al+3].[Ba+2].[Ba+2].[Ca+2].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))?
The InChIKey is KUHPRBFPNQUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.2Ba.2Ca.7O/q2*+3;4*+2;7*-2.
What are the key properties of dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))?
dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-)) has a molecular weight of 520.77 g/mol, XLogP of -3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-)) is sourced from PubChem (CID 24834218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).