tris(zirconium(4+));tetraarsorate

As4O16Zr3 — CID 173165970

IUPACtris(zirconium(4+));tetraarsorate
SMILESO=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/4AsH3O4.3Zr/c4*2-1(3,4)5;;;/h4*(H3,2,3,4,5);;;/q;;;;3*+4/p-12
InChIKeyBUQLURJYFCMVOE-UHFFFAOYSA-B
MW829.34 g/mol
LogP-16.27
Rot. Bonds

About tris(zirconium(4+));tetraarsorate

tris(zirconium(4+));tetraarsorate (PubChem CID 173165970) has the molecular formula As4O16Zr3 and a molecular weight of 829.34 g/mol. Its IUPAC name is tris(zirconium(4+));tetraarsorate.

Molecular Properties

Compound Nametris(zirconium(4+));tetraarsorate
PubChem CID173165970
Molecular FormulaAs4O16Zr3
Molecular Weight829.34 g/mol
Exact Mass825.32
IUPAC Nametris(zirconium(4+));tetraarsorate
SMILESO=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/4AsH3O4.3Zr/c4*2-1(3,4)5;;;/h4*(H3,2,3,4,5);;;/q;;;;3*+4/p-12
InChIKeyBUQLURJYFCMVOE-UHFFFAOYSA-B
XLogP-16.27
TPSA345.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.34
LogP ≤ 5-16.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(zirconium(4+));tetraarsorate?
The IUPAC name of tris(zirconium(4+));tetraarsorate (CID 173165970) is tris(zirconium(4+));tetraarsorate.
What is the SMILES notation for tris(zirconium(4+));tetraarsorate?
The canonical SMILES for tris(zirconium(4+));tetraarsorate is O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Zr+4].[Zr+4].[Zr+4].
What is the InChIKey of tris(zirconium(4+));tetraarsorate?
The InChIKey is BUQLURJYFCMVOE-UHFFFAOYSA-B. The full InChI is InChI=1S/4AsH3O4.3Zr/c4*2-1(3,4)5;;;/h4*(H3,2,3,4,5);;;/q;;;;3*+4/p-12.
What are the key properties of tris(zirconium(4+));tetraarsorate?
tris(zirconium(4+));tetraarsorate has a molecular weight of 829.34 g/mol, XLogP of -16.27, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tris(zirconium(4+));tetraarsorate is sourced from PubChem (CID 173165970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).