dialuminum;trisulfate;hexatriacontahydrate

H72Al2O48S3 — CID 173430533

IUPACdialuminum;trisulfate;hexatriacontahydrate
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.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.36H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);36*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6
InChIKeyYCUXIADSKPVMLG-UHFFFAOYSA-H
MW990.69 g/mol
LogP-34.46
Rot. Bonds

About dialuminum;trisulfate;hexatriacontahydrate

dialuminum;trisulfate;hexatriacontahydrate (PubChem CID 173430533) has the molecular formula H72Al2O48S3 and a molecular weight of 990.69 g/mol. Its IUPAC name is dialuminum;trisulfate;hexatriacontahydrate.

Molecular Properties

Compound Namedialuminum;trisulfate;hexatriacontahydrate
PubChem CID173430533
Molecular FormulaH72Al2O48S3
Molecular Weight990.69 g/mol
Exact Mass990.20
IUPAC Namedialuminum;trisulfate;hexatriacontahydrate
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.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.36H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);36*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6
InChIKeyYCUXIADSKPVMLG-UHFFFAOYSA-H
XLogP-34.46
TPSA1374.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.69
LogP ≤ 5-34.46
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;tetrahydrate
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aluminum;magnesium;sulfate;heptahydrate
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aluminum;lithium;sulfate
CID 23446975
sulfate trihydrate
CID 22613957
pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate
CID 122706784
dialuminum;dipotassium;hydride;trisulfate;dihydrate
CID 173094004
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103

Frequently Asked Questions

What is the IUPAC name of dialuminum;trisulfate;hexatriacontahydrate?
The IUPAC name of dialuminum;trisulfate;hexatriacontahydrate (CID 173430533) is dialuminum;trisulfate;hexatriacontahydrate.
What is the SMILES notation for dialuminum;trisulfate;hexatriacontahydrate?
The canonical SMILES for dialuminum;trisulfate;hexatriacontahydrate 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.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;hexatriacontahydrate?
The InChIKey is YCUXIADSKPVMLG-UHFFFAOYSA-H. The full InChI is InChI=1S/2Al.3H2O4S.36H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);36*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6.
What are the key properties of dialuminum;trisulfate;hexatriacontahydrate?
dialuminum;trisulfate;hexatriacontahydrate has a molecular weight of 990.69 g/mol, XLogP of -34.46, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;trisulfate;hexatriacontahydrate is sourced from PubChem (CID 173430533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).