tris(zirconium(4+));tetraarsorate;hydrate

H2As4O17Zr3 — CID 173447280

IUPACtris(zirconium(4+));tetraarsorate;hydrate
SMILESO.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]
InChIInChI=1S/4AsH3O4.H2O.3Zr/c4*2-1(3,4)5;;;;/h4*(H3,2,3,4,5);1H2;;;/q;;;;;3*+4/p-12
InChIKeyPVWXEXNWGPRBCX-UHFFFAOYSA-B
MW847.36 g/mol
LogP-17.10
Rot. Bonds

About tris(zirconium(4+));tetraarsorate;hydrate

tris(zirconium(4+));tetraarsorate;hydrate (PubChem CID 173447280) has the molecular formula H2As4O17Zr3 and a molecular weight of 847.36 g/mol. Its IUPAC name is tris(zirconium(4+));tetraarsorate;hydrate.

Molecular Properties

Compound Nametris(zirconium(4+));tetraarsorate;hydrate
PubChem CID173447280
Molecular FormulaH2As4O17Zr3
Molecular Weight847.36 g/mol
Exact Mass843.33
IUPAC Nametris(zirconium(4+));tetraarsorate;hydrate
SMILESO.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]
InChIInChI=1S/4AsH3O4.H2O.3Zr/c4*2-1(3,4)5;;;;/h4*(H3,2,3,4,5);1H2;;;/q;;;;;3*+4/p-12
InChIKeyPVWXEXNWGPRBCX-UHFFFAOYSA-B
XLogP-17.10
TPSA376.50 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.36
LogP ≤ 5-17.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tris(zirconium(4+));tetraarsorate;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(zirconium(4+));tetraarsorate
CID 173165970
CID 175362021
CID 175362021
tris(nickel(2+)) diarsorate
CID 19786074
diazanium;arsorate
CID 23618854
nickel(3+) arsorate
CID 57348043
tricopper diarsorate
CID 26065
azanium;molybdenum(2+);arsorate
CID 174277284
oxygen(2-);vanadium;arsorate
CID 173069015
tris(dioxouranium(2+)) diarsorate
CID 19854285
tricopper;tris(dioxouranium(2+));tetraarsorate
CID 19854267
pentacopper;sodium;hydrogen arsorate;triarsorate
CID 165361798
arsoric acid;zirconium;hydrate
CID 173447278

Frequently Asked Questions

What is the IUPAC name of tris(zirconium(4+));tetraarsorate;hydrate?
The IUPAC name of tris(zirconium(4+));tetraarsorate;hydrate (CID 173447280) is tris(zirconium(4+));tetraarsorate;hydrate.
What is the SMILES notation for tris(zirconium(4+));tetraarsorate;hydrate?
The canonical SMILES for tris(zirconium(4+));tetraarsorate;hydrate is O.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;hydrate?
The InChIKey is PVWXEXNWGPRBCX-UHFFFAOYSA-B. The full InChI is InChI=1S/4AsH3O4.H2O.3Zr/c4*2-1(3,4)5;;;;/h4*(H3,2,3,4,5);1H2;;;/q;;;;;3*+4/p-12.
What are the key properties of tris(zirconium(4+));tetraarsorate;hydrate?
tris(zirconium(4+));tetraarsorate;hydrate has a molecular weight of 847.36 g/mol, XLogP of -17.10, 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;hydrate is sourced from PubChem (CID 173447280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).