calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+)

CaO6PbTiZr — CID 173004586

IUPACcalcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+)
SMILESO=[Ti]([O-])[O-].O=[Zr]([O-])[O-].[Ca+2].[Pb+2]
InChIInChI=1S/Ca.6O.Pb.Ti.Zr/q+2;;;4*-1;+2;;
InChIKeyPIMRYUIPRYETMP-UHFFFAOYSA-N
MW482.36 g/mol
LogP-5.76
Rot. Bonds

About calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+)

calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+) (PubChem CID 173004586) has the molecular formula CaO6PbTiZr and a molecular weight of 482.36 g/mol. Its IUPAC name is calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+).

Molecular Properties

Compound Namecalcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+)
PubChem CID173004586
Molecular FormulaCaO6PbTiZr
Molecular Weight482.36 g/mol
Exact Mass481.76
IUPAC Namecalcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+)
SMILESO=[Ti]([O-])[O-].O=[Zr]([O-])[O-].[Ca+2].[Pb+2]
InChIInChI=1S/Ca.6O.Pb.Ti.Zr/q+2;;;4*-1;+2;;
InChIKeyPIMRYUIPRYETMP-UHFFFAOYSA-N
XLogP-5.76
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 5-5.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+)?
The IUPAC name of calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+) (CID 173004586) is calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+).
What is the SMILES notation for calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+)?
The canonical SMILES for calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+) is O=[Ti]([O-])[O-].O=[Zr]([O-])[O-].[Ca+2].[Pb+2].
What is the InChIKey of calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+)?
The InChIKey is PIMRYUIPRYETMP-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.6O.Pb.Ti.Zr/q+2;;;4*-1;+2;;.
What are the key properties of calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+)?
calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+) has a molecular weight of 482.36 g/mol, XLogP of -5.76, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dioxido(oxo)titanium;dioxido(oxo)zirconium;lead(2+) is sourced from PubChem (CID 173004586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).