calcium;magnesium;barium(2+);hydride;niobium;tantalum

H6BaCaMgNbTa — CID 175091651

IUPACcalcium;magnesium;barium(2+);hydride;niobium;tantalum
SMILES[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Nb].[Ta]
InChIInChI=1S/Ba.Ca.Mg.Nb.Ta.6H/q3*+2;;;6*-1
InChIKeyKZUNJNFDRBUAHF-UHFFFAOYSA-N
MW481.61 g/mol
LogP-0.47
Rot. Bonds

About calcium;magnesium;barium(2+);hydride;niobium;tantalum

calcium;magnesium;barium(2+);hydride;niobium;tantalum (PubChem CID 175091651) has the molecular formula H6BaCaMgNbTa and a molecular weight of 481.61 g/mol. Its IUPAC name is calcium;magnesium;barium(2+);hydride;niobium;tantalum.

Molecular Properties

Compound Namecalcium;magnesium;barium(2+);hydride;niobium;tantalum
PubChem CID175091651
Molecular FormulaH6BaCaMgNbTa
Molecular Weight481.61 g/mol
Exact Mass481.75
IUPAC Namecalcium;magnesium;barium(2+);hydride;niobium;tantalum
SMILES[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Nb].[Ta]
InChIInChI=1S/Ba.Ca.Mg.Nb.Ta.6H/q3*+2;;;6*-1
InChIKeyKZUNJNFDRBUAHF-UHFFFAOYSA-N
XLogP-0.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.61
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 159543336
potassium;hydride;niobium;tantalum
CID 173087130
lithium;hydride;niobium;tantalum
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dicalcium;magnesium;alumane;hydride
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calcium;magnesium;hydride;hydrochloride
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dicalcium;magnesium;hydride;hydrate
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Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;barium(2+);hydride;niobium;tantalum?
The IUPAC name of calcium;magnesium;barium(2+);hydride;niobium;tantalum (CID 175091651) is calcium;magnesium;barium(2+);hydride;niobium;tantalum.
What is the SMILES notation for calcium;magnesium;barium(2+);hydride;niobium;tantalum?
The canonical SMILES for calcium;magnesium;barium(2+);hydride;niobium;tantalum is [Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Nb].[Ta].
What is the InChIKey of calcium;magnesium;barium(2+);hydride;niobium;tantalum?
The InChIKey is KZUNJNFDRBUAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ca.Mg.Nb.Ta.6H/q3*+2;;;6*-1.
What are the key properties of calcium;magnesium;barium(2+);hydride;niobium;tantalum?
calcium;magnesium;barium(2+);hydride;niobium;tantalum has a molecular weight of 481.61 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;barium(2+);hydride;niobium;tantalum is sourced from PubChem (CID 175091651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).