magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium)

H4MgNb2O12TiZr — CID 173292105

IUPACmagnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium)
SMILESO=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Ti](O)O.O=[Zr](O)O.[Mg+2]
InChIInChI=1S/Mg.2Nb.4H2O.8O.Ti.Zr/h;;;4*1H2;;;;;;;;;;/q+2;;;;;;;;;;;;;2*-1;2*+2/p-4
InChIKeyHAFFFLCBEUAPOD-UHFFFAOYSA-J
MW545.23 g/mol
LogP-5.71
Rot. Bonds

About magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium)

magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium) (PubChem CID 173292105) has the molecular formula H4MgNb2O12TiZr and a molecular weight of 545.23 g/mol. Its IUPAC name is magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium).

Molecular Properties

Compound Namemagnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium)
PubChem CID173292105
Molecular FormulaH4MgNb2O12TiZr
Molecular Weight545.23 g/mol
Exact Mass543.62
IUPAC Namemagnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium)
SMILESO=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Ti](O)O.O=[Zr](O)O.[Mg+2]
InChIInChI=1S/Mg.2Nb.4H2O.8O.Ti.Zr/h;;;4*1H2;;;;;;;;;;/q+2;;;;;;;;;;;;;2*-1;2*+2/p-4
InChIKeyHAFFFLCBEUAPOD-UHFFFAOYSA-J
XLogP-5.71
TPSA229.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.23
LogP ≤ 5-5.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)
CID 19016950
gadolinium(3+);tris(oxido(dioxo)niobium)
CID 173091823
oxido(dioxo)niobium;rubidium(1+)
CID 23670859
bis(dihydroxy(oxo)titanium);λ2-plumbane;zirconium
CID 173073708
bismuth;manganese;tris(oxido(dioxo)niobium)
CID 173061692
potassium;lead(2+);tris(oxido(dioxo)niobium)
CID 173101759
triazanium;oxalate;oxido(dioxo)niobium
CID 173073929
potassium;oxido(dioxo)niobium;stiboric acid
CID 23688136
potassium;oxido(dioxo)niobium;phosphoric acid
CID 173154424
bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten
CID 173327744
barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)
CID 19988424
potassium;sodium;bismuthane;tetrakis(dihydroxy(oxo)titanium);hydride
CID 173023307

Frequently Asked Questions

What is the IUPAC name of magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium)?
The IUPAC name of magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium) (CID 173292105) is magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium).
What is the SMILES notation for magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium)?
The canonical SMILES for magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium) is O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Ti](O)O.O=[Zr](O)O.[Mg+2].
What is the InChIKey of magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium)?
The InChIKey is HAFFFLCBEUAPOD-UHFFFAOYSA-J. The full InChI is InChI=1S/Mg.2Nb.4H2O.8O.Ti.Zr/h;;;4*1H2;;;;;;;;;;/q+2;;;;;;;;;;;;;2*-1;2*+2/p-4.
What are the key properties of magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium)?
magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium) has a molecular weight of 545.23 g/mol, XLogP of -5.71, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dihydroxy(oxo)titanium;dihydroxy(oxo)zirconium;bis(oxido(dioxo)niobium) is sourced from PubChem (CID 173292105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).