strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-))

Ba3Nb2O9Sr — CID 139047363

IUPACstrontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-))
SMILES[Ba+2].[Ba+2].[Ba+2].[Nb+5].[Nb+5].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2]
InChIInChI=1S/3Ba.2Nb.9O.Sr/q3*+2;2*+5;9*-2;+2
InChIKeyDGTUUIKHPSWFHU-UHFFFAOYSA-N
MW829.41 g/mol
LogP-2.60
Rot. Bonds

About strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-))

strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-)) (PubChem CID 139047363) has the molecular formula Ba3Nb2O9Sr and a molecular weight of 829.41 g/mol. Its IUPAC name is strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-)).

Molecular Properties

Compound Namestrontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-))
PubChem CID139047363
Molecular FormulaBa3Nb2O9Sr
Molecular Weight829.41 g/mol
Exact Mass831.39
IUPAC Namestrontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-))
SMILES[Ba+2].[Ba+2].[Ba+2].[Nb+5].[Nb+5].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2]
InChIInChI=1S/3Ba.2Nb.9O.Sr/q3*+2;2*+5;9*-2;+2
InChIKeyDGTUUIKHPSWFHU-UHFFFAOYSA-N
XLogP-2.60
TPSA256.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500829.41
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-))?
The IUPAC name of strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-)) (CID 139047363) is strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-)).
What is the SMILES notation for strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-))?
The canonical SMILES for strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-)) is [Ba+2].[Ba+2].[Ba+2].[Nb+5].[Nb+5].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].
What is the InChIKey of strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-))?
The InChIKey is DGTUUIKHPSWFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/3Ba.2Nb.9O.Sr/q3*+2;2*+5;9*-2;+2.
What are the key properties of strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-))?
strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-)) has a molecular weight of 829.41 g/mol, XLogP of -2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;tris(barium(2+));bis(niobium(5+));nonakis(oxygen(2-)) is sourced from PubChem (CID 139047363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).