dialuminum;trisulfate;tetrahydrate

H8Al2O16S3 — CID 169423459

IUPACdialuminum;trisulfate;tetrahydrate
SMILESO.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
InChIInChI=1S/2Al.3H2O4S.4H2O/c;;3*1-5(2,3)4;;;;/h;;3*(H2,1,2,3,4);4*1H2/q2*+3;;;;;;;/p-6
InChIKeyACRSFNFDSSVKTB-UHFFFAOYSA-H
MW414.21 g/mol
LogP-8.07
Rot. Bonds

About dialuminum;trisulfate;tetrahydrate

dialuminum;trisulfate;tetrahydrate (PubChem CID 169423459) has the molecular formula H8Al2O16S3 and a molecular weight of 414.21 g/mol. Its IUPAC name is dialuminum;trisulfate;tetrahydrate.

Molecular Properties

Compound Namedialuminum;trisulfate;tetrahydrate
PubChem CID169423459
Molecular FormulaH8Al2O16S3
Molecular Weight414.21 g/mol
Exact Mass413.86
IUPAC Namedialuminum;trisulfate;tetrahydrate
SMILESO.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
InChIInChI=1S/2Al.3H2O4S.4H2O/c;;3*1-5(2,3)4;;;;/h;;3*(H2,1,2,3,4);4*1H2/q2*+3;;;;;;;/p-6
InChIKeyACRSFNFDSSVKTB-UHFFFAOYSA-H
XLogP-8.07
TPSA366.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.21
LogP ≤ 5-8.07
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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oxovanadium(2+);sulfate;dihydrate
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aluminum;lithium;sulfate
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sulfate trihydrate
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pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate
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dialuminum;dipotassium;hydride;trisulfate;dihydrate
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bis(iron(3+));trisulfate;tetrahydrate
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Frequently Asked Questions

What is the IUPAC name of dialuminum;trisulfate;tetrahydrate?
The IUPAC name of dialuminum;trisulfate;tetrahydrate (CID 169423459) is dialuminum;trisulfate;tetrahydrate.
What is the SMILES notation for dialuminum;trisulfate;tetrahydrate?
The canonical SMILES for dialuminum;trisulfate;tetrahydrate is O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;trisulfate;tetrahydrate?
The InChIKey is ACRSFNFDSSVKTB-UHFFFAOYSA-H. The full InChI is InChI=1S/2Al.3H2O4S.4H2O/c;;3*1-5(2,3)4;;;;/h;;3*(H2,1,2,3,4);4*1H2/q2*+3;;;;;;;/p-6.
What are the key properties of dialuminum;trisulfate;tetrahydrate?
dialuminum;trisulfate;tetrahydrate has a molecular weight of 414.21 g/mol, XLogP of -8.07, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;trisulfate;tetrahydrate is sourced from PubChem (CID 169423459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).