aluminum;calcium;lanthanum(3+);stiborate

AlCaLaO4Sb+5 — CID 23297458

IUPACaluminum;calcium;lanthanum(3+);stiborate
SMILESO=[Sb]([O-])([O-])[O-].[Al+3].[Ca+2].[La+3]
InChIInChI=1S/Al.Ca.La.4O.Sb/q+3;+2;+3;;3*-1;
InChIKeyUHMAZJRWKVIKCD-UHFFFAOYSA-N
MW391.72 g/mol
LogP-4.83
Rot. Bonds

About aluminum;calcium;lanthanum(3+);stiborate

aluminum;calcium;lanthanum(3+);stiborate (PubChem CID 23297458) has the molecular formula AlCaLaO4Sb+5 and a molecular weight of 391.72 g/mol. Its IUPAC name is aluminum;calcium;lanthanum(3+);stiborate.

Molecular Properties

Compound Namealuminum;calcium;lanthanum(3+);stiborate
PubChem CID23297458
Molecular FormulaAlCaLaO4Sb+5
Molecular Weight391.72 g/mol
Exact Mass390.73
IUPAC Namealuminum;calcium;lanthanum(3+);stiborate
SMILESO=[Sb]([O-])([O-])[O-].[Al+3].[Ca+2].[La+3]
InChIInChI=1S/Al.Ca.La.4O.Sb/q+3;+2;+3;;3*-1;
InChIKeyUHMAZJRWKVIKCD-UHFFFAOYSA-N
XLogP-4.83
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.72
LogP ≤ 5-4.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 aluminum;calcium;lanthanum(3+);stiborate?
The IUPAC name of aluminum;calcium;lanthanum(3+);stiborate (CID 23297458) is aluminum;calcium;lanthanum(3+);stiborate.
What is the SMILES notation for aluminum;calcium;lanthanum(3+);stiborate?
The canonical SMILES for aluminum;calcium;lanthanum(3+);stiborate is O=[Sb]([O-])([O-])[O-].[Al+3].[Ca+2].[La+3].
What is the InChIKey of aluminum;calcium;lanthanum(3+);stiborate?
The InChIKey is UHMAZJRWKVIKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.La.4O.Sb/q+3;+2;+3;;3*-1;.
What are the key properties of aluminum;calcium;lanthanum(3+);stiborate?
aluminum;calcium;lanthanum(3+);stiborate has a molecular weight of 391.72 g/mol, XLogP of -4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;lanthanum(3+);stiborate is sourced from PubChem (CID 23297458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).