barium(2+);dioxozirconium;sulfate

BaO6SZr — CID 174654416

IUPACbarium(2+);dioxozirconium;sulfate
SMILESO=S(=O)([O-])[O-].O=[Zr]=O.[Ba+2]
InChIInChI=1S/Ba.H2O4S.2O.Zr/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;/q+2;;;;/p-2
InChIKeyFIEJHMCYPQLPAU-UHFFFAOYSA-L
MW356.61 g/mol
LogP-1.96
Rot. Bonds

About barium(2+);dioxozirconium;sulfate

barium(2+);dioxozirconium;sulfate (PubChem CID 174654416) has the molecular formula BaO6SZr and a molecular weight of 356.61 g/mol. Its IUPAC name is barium(2+);dioxozirconium;sulfate.

Molecular Properties

Compound Namebarium(2+);dioxozirconium;sulfate
PubChem CID174654416
Molecular FormulaBaO6SZr
Molecular Weight356.61 g/mol
Exact Mass355.75
IUPAC Namebarium(2+);dioxozirconium;sulfate
SMILESO=S(=O)([O-])[O-].O=[Zr]=O.[Ba+2]
InChIInChI=1S/Ba.H2O4S.2O.Zr/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;/q+2;;;;/p-2
InChIKeyFIEJHMCYPQLPAU-UHFFFAOYSA-L
XLogP-1.96
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of barium(2+);dioxozirconium;sulfate?
The IUPAC name of barium(2+);dioxozirconium;sulfate (CID 174654416) is barium(2+);dioxozirconium;sulfate.
What is the SMILES notation for barium(2+);dioxozirconium;sulfate?
The canonical SMILES for barium(2+);dioxozirconium;sulfate is O=S(=O)([O-])[O-].O=[Zr]=O.[Ba+2].
What is the InChIKey of barium(2+);dioxozirconium;sulfate?
The InChIKey is FIEJHMCYPQLPAU-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.H2O4S.2O.Zr/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;/q+2;;;;/p-2.
What are the key properties of barium(2+);dioxozirconium;sulfate?
barium(2+);dioxozirconium;sulfate has a molecular weight of 356.61 g/mol, XLogP of -1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);dioxozirconium;sulfate is sourced from PubChem (CID 174654416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).