dibismuth;tritellurate

Bi2O12Te3 — CID 23346713

IUPACdibismuth;tritellurate
SMILESO=[Te](=O)([O-])[O-].O=[Te](=O)([O-])[O-].O=[Te](=O)([O-])[O-].[Bi+3].[Bi+3]
InChIInChI=1S/2Bi.3H2O4Te/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
InChIKeyOKGHAZPXKTVXIF-UHFFFAOYSA-H
MW992.75 g/mol
LogP-9.75
Rot. Bonds

About dibismuth;tritellurate

dibismuth;tritellurate (PubChem CID 23346713) has the molecular formula Bi2O12Te3 and a molecular weight of 992.75 g/mol. Its IUPAC name is dibismuth;tritellurate.

Molecular Properties

Compound Namedibismuth;tritellurate
PubChem CID23346713
Molecular FormulaBi2O12Te3
Molecular Weight992.75 g/mol
Exact Mass999.62
IUPAC Namedibismuth;tritellurate
SMILESO=[Te](=O)([O-])[O-].O=[Te](=O)([O-])[O-].O=[Te](=O)([O-])[O-].[Bi+3].[Bi+3]
InChIInChI=1S/2Bi.3H2O4Te/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
InChIKeyOKGHAZPXKTVXIF-UHFFFAOYSA-H
XLogP-9.75
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms17
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.75
LogP ≤ 5-9.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 dibismuth;tritellurate?
The IUPAC name of dibismuth;tritellurate (CID 23346713) is dibismuth;tritellurate.
What is the SMILES notation for dibismuth;tritellurate?
The canonical SMILES for dibismuth;tritellurate is O=[Te](=O)([O-])[O-].O=[Te](=O)([O-])[O-].O=[Te](=O)([O-])[O-].[Bi+3].[Bi+3].
What is the InChIKey of dibismuth;tritellurate?
The InChIKey is OKGHAZPXKTVXIF-UHFFFAOYSA-H. The full InChI is InChI=1S/2Bi.3H2O4Te/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6.
What are the key properties of dibismuth;tritellurate?
dibismuth;tritellurate has a molecular weight of 992.75 g/mol, XLogP of -9.75, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth;tritellurate is sourced from PubChem (CID 23346713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).