dialuminum;trisulfate;decahydrate

H20Al2O22S3 — CID 157389097

IUPACdialuminum;trisulfate;decahydrate
SMILESO.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.10H2O/c;;3*1-5(2,3)4;;;;;;;;;;/h;;3*(H2,1,2,3,4);10*1H2/q2*+3;;;;;;;;;;;;;/p-6
InChIKeyBLUAEPBSVDJDRI-UHFFFAOYSA-H
MW522.30 g/mol
LogP-13.02
Rot. Bonds

About dialuminum;trisulfate;decahydrate

dialuminum;trisulfate;decahydrate (PubChem CID 157389097) has the molecular formula H20Al2O22S3 and a molecular weight of 522.30 g/mol. Its IUPAC name is dialuminum;trisulfate;decahydrate.

Molecular Properties

Compound Namedialuminum;trisulfate;decahydrate
PubChem CID157389097
Molecular FormulaH20Al2O22S3
Molecular Weight522.30 g/mol
Exact Mass521.92
IUPAC Namedialuminum;trisulfate;decahydrate
SMILESO.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.10H2O/c;;3*1-5(2,3)4;;;;;;;;;;/h;;3*(H2,1,2,3,4);10*1H2/q2*+3;;;;;;;;;;;;;/p-6
InChIKeyBLUAEPBSVDJDRI-UHFFFAOYSA-H
XLogP-13.02
TPSA555.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.30
LogP ≤ 5-13.02
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
CID 169423459
aluminum;magnesium;sulfate;heptahydrate
CID 158341070
oxovanadium(2+);sulfate;dihydrate
CID 19884450
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
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CID 131676103

Frequently Asked Questions

What is the IUPAC name of dialuminum;trisulfate;decahydrate?
The IUPAC name of dialuminum;trisulfate;decahydrate (CID 157389097) is dialuminum;trisulfate;decahydrate.
What is the SMILES notation for dialuminum;trisulfate;decahydrate?
The canonical SMILES for dialuminum;trisulfate;decahydrate is 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;decahydrate?
The InChIKey is BLUAEPBSVDJDRI-UHFFFAOYSA-H. The full InChI is InChI=1S/2Al.3H2O4S.10H2O/c;;3*1-5(2,3)4;;;;;;;;;;/h;;3*(H2,1,2,3,4);10*1H2/q2*+3;;;;;;;;;;;;;/p-6.
What are the key properties of dialuminum;trisulfate;decahydrate?
dialuminum;trisulfate;decahydrate has a molecular weight of 522.30 g/mol, XLogP of -13.02, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;trisulfate;decahydrate is sourced from PubChem (CID 157389097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).