aluminum;lithium;hydroxy sulfate;hydrate

H6AlLiO21S4 — CID 158565872

IUPACaluminum;lithium;hydroxy sulfate;hydrate
SMILESO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.[Al+3].[Li+]
InChIInChI=1S/Al.Li.4H2O5S.H2O/c;;4*1-5-6(2,3)4;/h;;4*1H,(H,2,3,4);1H2/q+3;+1;;;;;/p-4
InChIKeyHRLSXWULBXMVRJ-UHFFFAOYSA-J
MW504.22 g/mol
LogP-8.46
Rot. Bonds4

About aluminum;lithium;hydroxy sulfate;hydrate

aluminum;lithium;hydroxy sulfate;hydrate (PubChem CID 158565872) has the molecular formula H6AlLiO21S4 and a molecular weight of 504.22 g/mol. Its IUPAC name is aluminum;lithium;hydroxy sulfate;hydrate.

Molecular Properties

Compound Namealuminum;lithium;hydroxy sulfate;hydrate
PubChem CID158565872
Molecular FormulaH6AlLiO21S4
Molecular Weight504.22 g/mol
Exact Mass503.83
IUPAC Namealuminum;lithium;hydroxy sulfate;hydrate
SMILESO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.[Al+3].[Li+]
InChIInChI=1S/Al.Li.4H2O5S.H2O/c;;4*1-5-6(2,3)4;/h;;4*1H,(H,2,3,4);1H2/q+3;+1;;;;;/p-4
InChIKeyHRLSXWULBXMVRJ-UHFFFAOYSA-J
XLogP-8.46
TPSA378.14 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.22
LogP ≤ 5-8.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

sodium;hydroxy sulfate;methane;dihydrate
CID 173150022
cesium hydroxy sulfate
CID 161129276
potassium hydroxy sulfate
CID 23712892
copper;magnesium;hydroxy sulfate
CID 175067700
aluminum;hydroxy sulfate;phosphoric acid
CID 173126814
dialuminum;trisulfate;hexatriacontahydrate
CID 173430533
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
dialuminum;trisulfate;tetrahydrate
CID 169423459
dialuminum;trisulfate;decahydrate
CID 157389097
aluminum;magnesium;sulfate;heptahydrate
CID 158341070
oxovanadium(2+);sulfate;dihydrate
CID 19884450
aluminum;sodium;sulfonato sulfate
CID 159964180

Frequently Asked Questions

What is the IUPAC name of aluminum;lithium;hydroxy sulfate;hydrate?
The IUPAC name of aluminum;lithium;hydroxy sulfate;hydrate (CID 158565872) is aluminum;lithium;hydroxy sulfate;hydrate.
What is the SMILES notation for aluminum;lithium;hydroxy sulfate;hydrate?
The canonical SMILES for aluminum;lithium;hydroxy sulfate;hydrate is O.O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.[Al+3].[Li+].
What is the InChIKey of aluminum;lithium;hydroxy sulfate;hydrate?
The InChIKey is HRLSXWULBXMVRJ-UHFFFAOYSA-J. The full InChI is InChI=1S/Al.Li.4H2O5S.H2O/c;;4*1-5-6(2,3)4;/h;;4*1H,(H,2,3,4);1H2/q+3;+1;;;;;/p-4.
What are the key properties of aluminum;lithium;hydroxy sulfate;hydrate?
aluminum;lithium;hydroxy sulfate;hydrate has a molecular weight of 504.22 g/mol, XLogP of -8.46, 4 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;lithium;hydroxy sulfate;hydrate is sourced from PubChem (CID 158565872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).