trialuminum;tris(niobium(5+));octaphosphate

Al3Nb3O32P8 — CID 173206362

IUPACtrialuminum;tris(niobium(5+));octaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/3Al.3Nb.8H3O4P/c;;;;;;8*1-5(2,3)4/h;;;;;;8*(H3,1,2,3,4)/q3*+3;3*+5;;;;;;;;/p-24
InChIKeyLZRDTDDOODYHAW-UHFFFAOYSA-A
MW1119.42 g/mol
LogP-23.75
Rot. Bonds

About trialuminum;tris(niobium(5+));octaphosphate

trialuminum;tris(niobium(5+));octaphosphate (PubChem CID 173206362) has the molecular formula Al3Nb3O32P8 and a molecular weight of 1119.42 g/mol. Its IUPAC name is trialuminum;tris(niobium(5+));octaphosphate.

Molecular Properties

Compound Nametrialuminum;tris(niobium(5+));octaphosphate
PubChem CID173206362
Molecular FormulaAl3Nb3O32P8
Molecular Weight1119.42 g/mol
Exact Mass1119.29
IUPAC Nametrialuminum;tris(niobium(5+));octaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/3Al.3Nb.8H3O4P/c;;;;;;8*1-5(2,3)4/h;;;;;;8*(H3,1,2,3,4)/q3*+3;3*+5;;;;;;;;/p-24
InChIKeyLZRDTDDOODYHAW-UHFFFAOYSA-A
XLogP-23.75
TPSA690.00 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.42
LogP ≤ 5-23.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze trialuminum;tris(niobium(5+));octaphosphate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trialuminum;tris(niobium(5+));octaphosphate?
The IUPAC name of trialuminum;tris(niobium(5+));octaphosphate (CID 173206362) is trialuminum;tris(niobium(5+));octaphosphate.
What is the SMILES notation for trialuminum;tris(niobium(5+));octaphosphate?
The canonical SMILES for trialuminum;tris(niobium(5+));octaphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Nb+5].[Nb+5].[Nb+5].
What is the InChIKey of trialuminum;tris(niobium(5+));octaphosphate?
The InChIKey is LZRDTDDOODYHAW-UHFFFAOYSA-A. The full InChI is InChI=1S/3Al.3Nb.8H3O4P/c;;;;;;8*1-5(2,3)4/h;;;;;;8*(H3,1,2,3,4)/q3*+3;3*+5;;;;;;;;/p-24.
What are the key properties of trialuminum;tris(niobium(5+));octaphosphate?
trialuminum;tris(niobium(5+));octaphosphate has a molecular weight of 1119.42 g/mol, XLogP of -23.75, 0 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for trialuminum;tris(niobium(5+));octaphosphate is sourced from PubChem (CID 173206362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).