aluminum;gadolinium(3+);trisulfate

AlGdO12S3 — CID 159047443

IUPACaluminum;gadolinium(3+);trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Gd+3]
InChIInChI=1S/Al.Gd.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
InChIKeyJWVHXBOXDJRSMQ-UHFFFAOYSA-H
MW472.42 g/mol
LogP-4.39
Rot. Bonds

About aluminum;gadolinium(3+);trisulfate

aluminum;gadolinium(3+);trisulfate (PubChem CID 159047443) has the molecular formula AlGdO12S3 and a molecular weight of 472.42 g/mol. Its IUPAC name is aluminum;gadolinium(3+);trisulfate.

Molecular Properties

Compound Namealuminum;gadolinium(3+);trisulfate
PubChem CID159047443
Molecular FormulaAlGdO12S3
Molecular Weight472.42 g/mol
Exact Mass472.76
IUPAC Namealuminum;gadolinium(3+);trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Gd+3]
InChIInChI=1S/Al.Gd.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
InChIKeyJWVHXBOXDJRSMQ-UHFFFAOYSA-H
XLogP-4.39
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 5-4.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze aluminum;gadolinium(3+);trisulfate 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

aluminum;lithium;sulfate
CID 23446975
dialuminum;trisulfate;tetrahydrate
CID 169423459
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
dialuminum;azane;trisulfate
CID 162155336
dialuminum;trisulfate;hexatriacontahydrate
CID 173430533
dialuminum;trisulfate;decahydrate
CID 157389097
dialuminum;iron;trisulfate
CID 173073080
aluminum;yttrium(3+);trisulfate
CID 157407961
hexadecasilver;octasulfate
CID 174664647
aluminum;potassium;hydroxide;sulfate
CID 160568468
dialuminum;calcium;hydride;trisulfate
CID 173168801
oxovanadium(2+);sulfate;dihydrate
CID 19884450

Frequently Asked Questions

What is the IUPAC name of aluminum;gadolinium(3+);trisulfate?
The IUPAC name of aluminum;gadolinium(3+);trisulfate (CID 159047443) is aluminum;gadolinium(3+);trisulfate.
What is the SMILES notation for aluminum;gadolinium(3+);trisulfate?
The canonical SMILES for aluminum;gadolinium(3+);trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Gd+3].
What is the InChIKey of aluminum;gadolinium(3+);trisulfate?
The InChIKey is JWVHXBOXDJRSMQ-UHFFFAOYSA-H. The full InChI is InChI=1S/Al.Gd.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6.
What are the key properties of aluminum;gadolinium(3+);trisulfate?
aluminum;gadolinium(3+);trisulfate has a molecular weight of 472.42 g/mol, XLogP of -4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;gadolinium(3+);trisulfate is sourced from PubChem (CID 159047443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).