zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate

O8PSTiVZnZr+5 — CID 158672464

IUPACzinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate
SMILESO=P([O-])([O-])[O-].O=S(=O)([O-])[O-].[Ti+4].[V].[Zn+2].[Zr+4]
InChIInChI=1S/H3O4P.H2O4S.Ti.V.Zn.Zr/c2*1-5(2,3)4;;;;/h(H3,1,2,3,4);(H2,1,2,3,4);;;;/q;;+4;;+2;+4/p-5
InChIKeyKDTWPQFSPLOAQT-UHFFFAOYSA-I
MW446.46 g/mol
LogP-4.17
Rot. Bonds

About zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate

zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate (PubChem CID 158672464) has the molecular formula O8PSTiVZnZr+5 and a molecular weight of 446.46 g/mol. Its IUPAC name is zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate.

Molecular Properties

Compound Namezinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate
PubChem CID158672464
Molecular FormulaO8PSTiVZnZr+5
Molecular Weight446.46 g/mol
Exact Mass443.63
IUPAC Namezinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate
SMILESO=P([O-])([O-])[O-].O=S(=O)([O-])[O-].[Ti+4].[V].[Zn+2].[Zr+4]
InChIInChI=1S/H3O4P.H2O4S.Ti.V.Zn.Zr/c2*1-5(2,3)4;;;;/h(H3,1,2,3,4);(H2,1,2,3,4);;;;/q;;+4;;+2;+4/p-5
InChIKeyKDTWPQFSPLOAQT-UHFFFAOYSA-I
XLogP-4.17
TPSA166.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 5-4.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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calcium;zinc;hydrogen sulfate;phosphate
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dialuminum;lithium;titanium(4+);phosphate
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trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
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Frequently Asked Questions

What is the IUPAC name of zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate?
The IUPAC name of zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate (CID 158672464) is zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate.
What is the SMILES notation for zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate?
The canonical SMILES for zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate is O=P([O-])([O-])[O-].O=S(=O)([O-])[O-].[Ti+4].[V].[Zn+2].[Zr+4].
What is the InChIKey of zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate?
The InChIKey is KDTWPQFSPLOAQT-UHFFFAOYSA-I. The full InChI is InChI=1S/H3O4P.H2O4S.Ti.V.Zn.Zr/c2*1-5(2,3)4;;;;/h(H3,1,2,3,4);(H2,1,2,3,4);;;;/q;;+4;;+2;+4/p-5.
What are the key properties of zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate?
zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate has a molecular weight of 446.46 g/mol, XLogP of -4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate is sourced from PubChem (CID 158672464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).