dialuminum;trisulfate;dotriacontahydrate

H64Al2O44S3 — CID 172707347

IUPACdialuminum;trisulfate;dotriacontahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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.32H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);32*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6
InChIKeyDTPCYWITOMLIRR-UHFFFAOYSA-H
MW918.63 g/mol
LogP-31.17
Rot. Bonds

About dialuminum;trisulfate;dotriacontahydrate

dialuminum;trisulfate;dotriacontahydrate (PubChem CID 172707347) has the molecular formula H64Al2O44S3 and a molecular weight of 918.63 g/mol. Its IUPAC name is dialuminum;trisulfate;dotriacontahydrate.

Molecular Properties

Compound Namedialuminum;trisulfate;dotriacontahydrate
PubChem CID172707347
Molecular FormulaH64Al2O44S3
Molecular Weight918.63 g/mol
Exact Mass918.16
IUPAC Namedialuminum;trisulfate;dotriacontahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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.32H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);32*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6
InChIKeyDTPCYWITOMLIRR-UHFFFAOYSA-H
XLogP-31.17
TPSA1248.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.63
LogP ≤ 5-31.17
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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aluminum;magnesium;sulfate;heptahydrate
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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
CID 173094004
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
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bis(ytterbium(3+));trisulfate;octahydrate
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Frequently Asked Questions

What is the IUPAC name of dialuminum;trisulfate;dotriacontahydrate?
The IUPAC name of dialuminum;trisulfate;dotriacontahydrate (CID 172707347) is dialuminum;trisulfate;dotriacontahydrate.
What is the SMILES notation for dialuminum;trisulfate;dotriacontahydrate?
The canonical SMILES for dialuminum;trisulfate;dotriacontahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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;dotriacontahydrate?
The InChIKey is DTPCYWITOMLIRR-UHFFFAOYSA-H. The full InChI is InChI=1S/2Al.3H2O4S.32H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);32*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6.
What are the key properties of dialuminum;trisulfate;dotriacontahydrate?
dialuminum;trisulfate;dotriacontahydrate has a molecular weight of 918.63 g/mol, XLogP of -31.17, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;trisulfate;dotriacontahydrate is sourced from PubChem (CID 172707347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).