pentacopper;sodium;hydrogen arsorate;triarsorate

HAs4Cu5NaO16 — CID 165361798

IUPACpentacopper;sodium;hydrogen arsorate;triarsorate
SMILESO=[As]([O-])([O-])O.O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Na+]
InChIInChI=1S/4AsH3O4.5Cu.Na/c4*2-1(3,4)5;;;;;;/h4*(H3,2,3,4,5);;;;;;/q;;;;5*+2;+1/p-11
InChIKeyOOQCDKPMJDXYSJ-UHFFFAOYSA-C
MW897.40 g/mol
LogP-18.64
Rot. Bonds

About pentacopper;sodium;hydrogen arsorate;triarsorate

pentacopper;sodium;hydrogen arsorate;triarsorate (PubChem CID 165361798) has the molecular formula HAs4Cu5NaO16 and a molecular weight of 897.40 g/mol. Its IUPAC name is pentacopper;sodium;hydrogen arsorate;triarsorate.

Molecular Properties

Compound Namepentacopper;sodium;hydrogen arsorate;triarsorate
PubChem CID165361798
Molecular FormulaHAs4Cu5NaO16
Molecular Weight897.40 g/mol
Exact Mass894.25
IUPAC Namepentacopper;sodium;hydrogen arsorate;triarsorate
SMILESO=[As]([O-])([O-])O.O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Na+]
InChIInChI=1S/4AsH3O4.5Cu.Na/c4*2-1(3,4)5;;;;;;/h4*(H3,2,3,4,5);;;;;;/q;;;;5*+2;+1/p-11
InChIKeyOOQCDKPMJDXYSJ-UHFFFAOYSA-C
XLogP-18.64
TPSA342.17 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.40
LogP ≤ 5-18.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze pentacopper;sodium;hydrogen arsorate;triarsorate 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

hydrogen arsorate
CID 233
hydrogen arsorate;iron(2+)
CID 158012453
tricopper diarsorate
CID 26065
hydrogen arsorate;bis(rubidium(1+));titanium
CID 173272436
dicalcium;hydrogen arsorate;carbonate
CID 174953049
diazanium;arsorate
CID 23618854
tris(zirconium(4+));tetraarsorate
CID 173165970
nickel(3+) arsorate
CID 57348043
tris(nickel(2+)) diarsorate
CID 19786074
tricopper;tris(dioxouranium(2+));tetraarsorate
CID 19854267
oxygen(2-);vanadium;arsorate
CID 173069015
azanium;molybdenum(2+);arsorate
CID 174277284

Frequently Asked Questions

What is the IUPAC name of pentacopper;sodium;hydrogen arsorate;triarsorate?
The IUPAC name of pentacopper;sodium;hydrogen arsorate;triarsorate (CID 165361798) is pentacopper;sodium;hydrogen arsorate;triarsorate.
What is the SMILES notation for pentacopper;sodium;hydrogen arsorate;triarsorate?
The canonical SMILES for pentacopper;sodium;hydrogen arsorate;triarsorate is O=[As]([O-])([O-])O.O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Na+].
What is the InChIKey of pentacopper;sodium;hydrogen arsorate;triarsorate?
The InChIKey is OOQCDKPMJDXYSJ-UHFFFAOYSA-C. The full InChI is InChI=1S/4AsH3O4.5Cu.Na/c4*2-1(3,4)5;;;;;;/h4*(H3,2,3,4,5);;;;;;/q;;;;5*+2;+1/p-11.
What are the key properties of pentacopper;sodium;hydrogen arsorate;triarsorate?
pentacopper;sodium;hydrogen arsorate;triarsorate has a molecular weight of 897.40 g/mol, XLogP of -18.64, 0 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for pentacopper;sodium;hydrogen arsorate;triarsorate is sourced from PubChem (CID 165361798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).