copper;magnesium;hydroxy sulfate

H4CuMgO20S4 — CID 175067700

IUPACcopper;magnesium;hydroxy sulfate
SMILESO=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.[Cu+2].[Mg+2]
InChIInChI=1S/Cu.Mg.4H2O5S/c;;4*1-5-6(2,3)4/h;;4*1H,(H,2,3,4)/q2*+2;;;;/p-4
InChIKeyLVJXFVVLSRKBCJ-UHFFFAOYSA-J
MW540.13 g/mol
LogP-4.64
Rot. Bonds4

About copper;magnesium;hydroxy sulfate

copper;magnesium;hydroxy sulfate (PubChem CID 175067700) has the molecular formula H4CuMgO20S4 and a molecular weight of 540.13 g/mol. Its IUPAC name is copper;magnesium;hydroxy sulfate.

Molecular Properties

Compound Namecopper;magnesium;hydroxy sulfate
PubChem CID175067700
Molecular FormulaH4CuMgO20S4
Molecular Weight540.13 g/mol
Exact Mass538.73
IUPAC Namecopper;magnesium;hydroxy sulfate
SMILESO=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.[Cu+2].[Mg+2]
InChIInChI=1S/Cu.Mg.4H2O5S/c;;4*1-5-6(2,3)4/h;;4*1H,(H,2,3,4)/q2*+2;;;;/p-4
InChIKeyLVJXFVVLSRKBCJ-UHFFFAOYSA-J
XLogP-4.64
TPSA346.64 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.13
LogP ≤ 5-4.64
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

potassium hydroxy sulfate
CID 23712892
cesium hydroxy sulfate
CID 161129276
aluminum;lithium;hydroxy sulfate;hydrate
CID 158565872
sodium;hydroxy sulfate;methane;dihydrate
CID 173150022
aluminum;hydroxy sulfate;phosphoric acid
CID 173126814
octacosacopper;pentasulfate
CID 173053964
copper;hydrazine;sulfonato sulfate
CID 158083856
hydrogen sulfate;hydroxy sulfate;pentakis(tetrabutylazanium);sulfate
CID 11115952
sulfonato sulfate;bis(tetramethylphosphanium)
CID 174869555
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
magnesium;sulfate;hydrobromide
CID 174858346
magnesium;lead(2+);disulfate
CID 159783766

Frequently Asked Questions

What is the IUPAC name of copper;magnesium;hydroxy sulfate?
The IUPAC name of copper;magnesium;hydroxy sulfate (CID 175067700) is copper;magnesium;hydroxy sulfate.
What is the SMILES notation for copper;magnesium;hydroxy sulfate?
The canonical SMILES for copper;magnesium;hydroxy sulfate is O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.O=S(=O)([O-])OO.[Cu+2].[Mg+2].
What is the InChIKey of copper;magnesium;hydroxy sulfate?
The InChIKey is LVJXFVVLSRKBCJ-UHFFFAOYSA-J. The full InChI is InChI=1S/Cu.Mg.4H2O5S/c;;4*1-5-6(2,3)4/h;;4*1H,(H,2,3,4)/q2*+2;;;;/p-4.
What are the key properties of copper;magnesium;hydroxy sulfate?
copper;magnesium;hydroxy sulfate has a molecular weight of 540.13 g/mol, XLogP of -4.64, 4 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for copper;magnesium;hydroxy sulfate is sourced from PubChem (CID 175067700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).