trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate

Fe2Mg3O15S3 — CID 173307305

IUPACtrimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+3].[Fe+3].[Mg+2].[Mg+2].[Mg+2].[O-2].[O-2].[O-2]
InChIInChI=1S/2Fe.3Mg.3H2O4S.3O/c;;;;;3*1-5(2,3)4;;;/h;;;;;3*(H2,1,2,3,4);;;/q2*+3;3*+2;;;;3*-2/p-6
InChIKeyYQAVBILFJKWEPI-UHFFFAOYSA-H
MW520.79 g/mol
LogP-5.52
Rot. Bonds

About trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate

trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate (PubChem CID 173307305) has the molecular formula Fe2Mg3O15S3 and a molecular weight of 520.79 g/mol. Its IUPAC name is trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate.

Molecular Properties

Compound Nametrimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate
PubChem CID173307305
Molecular FormulaFe2Mg3O15S3
Molecular Weight520.79 g/mol
Exact Mass519.66
IUPAC Nametrimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+3].[Fe+3].[Mg+2].[Mg+2].[Mg+2].[O-2].[O-2].[O-2]
InChIInChI=1S/2Fe.3Mg.3H2O4S.3O/c;;;;;3*1-5(2,3)4;;;/h;;;;;3*(H2,1,2,3,4);;;/q2*+3;3*+2;;;;3*-2/p-6
InChIKeyYQAVBILFJKWEPI-UHFFFAOYSA-H
XLogP-5.52
TPSA326.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.79
LogP ≤ 5-5.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

azanium;iron(3+);oxygen(2-);sulfate
CID 160689696
magnesium;bis(iron(3+));dichloride;trisulfate
CID 174891145
diazanium;iron(3+);sulfate
CID 154825065
magnesium;methane;sulfate
CID 158186835
dimagnesium;diiodide;sulfate
CID 175422505
bis(oxygen(2-));bis(titanium(4+));sulfate
CID 160596122
bis(oxygen(2-));tris(titanium(4+));tetrasulfate
CID 173292804
magnesium;sulfate;hydrobromide
CID 174858346
magnesium;lead(2+);disulfate
CID 159783766
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
bis(chromium(3+));tris(oxygen(2-));sulfate
CID 131710712

Frequently Asked Questions

What is the IUPAC name of trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate?
The IUPAC name of trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate (CID 173307305) is trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate.
What is the SMILES notation for trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate?
The canonical SMILES for trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+3].[Fe+3].[Mg+2].[Mg+2].[Mg+2].[O-2].[O-2].[O-2].
What is the InChIKey of trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate?
The InChIKey is YQAVBILFJKWEPI-UHFFFAOYSA-H. The full InChI is InChI=1S/2Fe.3Mg.3H2O4S.3O/c;;;;;3*1-5(2,3)4;;;/h;;;;;3*(H2,1,2,3,4);;;/q2*+3;3*+2;;;;3*-2/p-6.
What are the key properties of trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate?
trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate has a molecular weight of 520.79 g/mol, XLogP of -5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;bis(iron(3+));tris(oxygen(2-));trisulfate is sourced from PubChem (CID 173307305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).