calcium;barium(2+);pentakis(oxygen(2-));tungsten

BaCaO5W-6 — CID 131700190

IUPACcalcium;barium(2+);pentakis(oxygen(2-));tungsten
SMILES[Ba+2].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[W]
InChIInChI=1S/Ba.Ca.5O.W/q2*+2;5*-2;
InChIKeyUGWGFKRXCARAOD-UHFFFAOYSA-N
MW441.24 g/mol
LogP-1.36
Rot. Bonds

About calcium;barium(2+);pentakis(oxygen(2-));tungsten

calcium;barium(2+);pentakis(oxygen(2-));tungsten (PubChem CID 131700190) has the molecular formula BaCaO5W-6 and a molecular weight of 441.24 g/mol. Its IUPAC name is calcium;barium(2+);pentakis(oxygen(2-));tungsten.

Molecular Properties

Compound Namecalcium;barium(2+);pentakis(oxygen(2-));tungsten
PubChem CID131700190
Molecular FormulaBaCaO5W-6
Molecular Weight441.24 g/mol
Exact Mass441.80
IUPAC Namecalcium;barium(2+);pentakis(oxygen(2-));tungsten
SMILES[Ba+2].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[W]
InChIInChI=1S/Ba.Ca.5O.W/q2*+2;5*-2;
InChIKeyUGWGFKRXCARAOD-UHFFFAOYSA-N
XLogP-1.36
TPSA142.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.24
LogP ≤ 5-1.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;barium(2+);pentakis(oxygen(2-));tungsten?
The IUPAC name of calcium;barium(2+);pentakis(oxygen(2-));tungsten (CID 131700190) is calcium;barium(2+);pentakis(oxygen(2-));tungsten.
What is the SMILES notation for calcium;barium(2+);pentakis(oxygen(2-));tungsten?
The canonical SMILES for calcium;barium(2+);pentakis(oxygen(2-));tungsten is [Ba+2].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[W].
What is the InChIKey of calcium;barium(2+);pentakis(oxygen(2-));tungsten?
The InChIKey is UGWGFKRXCARAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ca.5O.W/q2*+2;5*-2;.
What are the key properties of calcium;barium(2+);pentakis(oxygen(2-));tungsten?
calcium;barium(2+);pentakis(oxygen(2-));tungsten has a molecular weight of 441.24 g/mol, XLogP of -1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;barium(2+);pentakis(oxygen(2-));tungsten is sourced from PubChem (CID 131700190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).