aluminum;yttrium(3+);trisulfate

AlO12S3Y — CID 157407961

IUPACaluminum;yttrium(3+);trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Y+3]
InChIInChI=1S/Al.3H2O4S.Y/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);/q+3;;;;+3/p-6
InChIKeyBNYDXKUOWJNQPU-UHFFFAOYSA-H
MW404.08 g/mol
LogP-4.40
Rot. Bonds

About aluminum;yttrium(3+);trisulfate

aluminum;yttrium(3+);trisulfate (PubChem CID 157407961) has the molecular formula AlO12S3Y and a molecular weight of 404.08 g/mol. Its IUPAC name is aluminum;yttrium(3+);trisulfate.

Molecular Properties

Compound Namealuminum;yttrium(3+);trisulfate
PubChem CID157407961
Molecular FormulaAlO12S3Y
Molecular Weight404.08 g/mol
Exact Mass403.74
IUPAC Namealuminum;yttrium(3+);trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Y+3]
InChIInChI=1S/Al.3H2O4S.Y/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);/q+3;;;;+3/p-6
InChIKeyBNYDXKUOWJNQPU-UHFFFAOYSA-H
XLogP-4.40
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.08
LogP ≤ 5-4.40
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'}

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Related Compounds

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dialuminum;trisulfate;dotriacontahydrate
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dialuminum;azane;trisulfate
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dialuminum;trisulfate;hexatriacontahydrate
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dialuminum;trisulfate;decahydrate
CID 157389097
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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;yttrium(3+);trisulfate?
The IUPAC name of aluminum;yttrium(3+);trisulfate (CID 157407961) is aluminum;yttrium(3+);trisulfate.
What is the SMILES notation for aluminum;yttrium(3+);trisulfate?
The canonical SMILES for aluminum;yttrium(3+);trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Y+3].
What is the InChIKey of aluminum;yttrium(3+);trisulfate?
The InChIKey is BNYDXKUOWJNQPU-UHFFFAOYSA-H. The full InChI is InChI=1S/Al.3H2O4S.Y/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);/q+3;;;;+3/p-6.
What are the key properties of aluminum;yttrium(3+);trisulfate?
aluminum;yttrium(3+);trisulfate has a molecular weight of 404.08 g/mol, XLogP of -4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;yttrium(3+);trisulfate is sourced from PubChem (CID 157407961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).