calcium;barium(2+);hydride;sulfuric acid;zinc

H6BaCaO4SZn — CID 174925769

IUPACcalcium;barium(2+);hydride;sulfuric acid;zinc
SMILESO=S(=O)(O)O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[Zn]
InChIInChI=1S/Ba.Ca.H2O4S.Zn.4H/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);;;;;/q2*+2;;;4*-1
InChIKeyBGKLZPSAMHASIV-UHFFFAOYSA-N
MW344.91 g/mol
LogP-0.97
Rot. Bonds

About calcium;barium(2+);hydride;sulfuric acid;zinc

calcium;barium(2+);hydride;sulfuric acid;zinc (PubChem CID 174925769) has the molecular formula H6BaCaO4SZn and a molecular weight of 344.91 g/mol. Its IUPAC name is calcium;barium(2+);hydride;sulfuric acid;zinc.

Molecular Properties

Compound Namecalcium;barium(2+);hydride;sulfuric acid;zinc
PubChem CID174925769
Molecular FormulaH6BaCaO4SZn
Molecular Weight344.91 g/mol
Exact Mass343.80
IUPAC Namecalcium;barium(2+);hydride;sulfuric acid;zinc
SMILESO=S(=O)(O)O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[Zn]
InChIInChI=1S/Ba.Ca.H2O4S.Zn.4H/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);;;;;/q2*+2;;;4*-1
InChIKeyBGKLZPSAMHASIV-UHFFFAOYSA-N
XLogP-0.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

lithium;barium(2+);hydride;sulfuric acid
CID 175327907
calcium;hydride;sulfuric acid;hydrochloride
CID 173159750
dicalcium;hydride;sulfuric acid;hydrochloride
CID 173127277
azane;barium(2+);hydride;sulfuric acid
CID 173256426
dicalcium;hydride;sulfuric acid;pentahydrate
CID 173205930
dicalcium;hydride;sulfuric acid;dihydrate
CID 173090602
dicalcium;hydride;sulfuric acid;hydrate
CID 173153468
sodium;hydride;sulfuric acid;zinc
CID 173223008
magnesium;barium(2+);hydride;sulfuric acid
CID 173186235
sulfuric acid;zinc
CID 173312320
(barium(2+));sulfuric acid
CID 173434226
calcium;hydride;iron;sulfuric acid;hydrochloride
CID 173427945

Frequently Asked Questions

What is the IUPAC name of calcium;barium(2+);hydride;sulfuric acid;zinc?
The IUPAC name of calcium;barium(2+);hydride;sulfuric acid;zinc (CID 174925769) is calcium;barium(2+);hydride;sulfuric acid;zinc.
What is the SMILES notation for calcium;barium(2+);hydride;sulfuric acid;zinc?
The canonical SMILES for calcium;barium(2+);hydride;sulfuric acid;zinc is O=S(=O)(O)O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[Zn].
What is the InChIKey of calcium;barium(2+);hydride;sulfuric acid;zinc?
The InChIKey is BGKLZPSAMHASIV-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ca.H2O4S.Zn.4H/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);;;;;/q2*+2;;;4*-1.
What are the key properties of calcium;barium(2+);hydride;sulfuric acid;zinc?
calcium;barium(2+);hydride;sulfuric acid;zinc has a molecular weight of 344.91 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;barium(2+);hydride;sulfuric acid;zinc is sourced from PubChem (CID 174925769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).