bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))

Ba2O5Sc2 — CID 6453061

IUPACbis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))
SMILES[Ba+2].[Ba+2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sc+3].[Sc+3]
InChIInChI=1S/2Ba.5O.2Sc/q2*+2;5*-2;2*+3
InChIKeyHXLULJVTOWUOAU-UHFFFAOYSA-N
MW444.56 g/mol
LogP-1.36
Rot. Bonds

About bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))

bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+)) (PubChem CID 6453061) has the molecular formula Ba2O5Sc2 and a molecular weight of 444.56 g/mol. Its IUPAC name is bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+)).

Molecular Properties

Compound Namebis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))
PubChem CID6453061
Molecular FormulaBa2O5Sc2
Molecular Weight444.56 g/mol
Exact Mass445.70
IUPAC Namebis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))
SMILES[Ba+2].[Ba+2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sc+3].[Sc+3]
InChIInChI=1S/2Ba.5O.2Sc/q2*+2;5*-2;2*+3
InChIKeyHXLULJVTOWUOAU-UHFFFAOYSA-N
XLogP-1.36
TPSA142.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
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 bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))?
The IUPAC name of bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+)) (CID 6453061) is bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+)).
What is the SMILES notation for bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))?
The canonical SMILES for bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+)) is [Ba+2].[Ba+2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sc+3].[Sc+3].
What is the InChIKey of bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))?
The InChIKey is HXLULJVTOWUOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ba.5O.2Sc/q2*+2;5*-2;2*+3.
What are the key properties of bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))?
bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+)) has a molecular weight of 444.56 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 bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+)) is sourced from PubChem (CID 6453061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).