dimagnesium;dipotassium;trisulfate;hexahydrate

H12K2Mg2O18S3 — CID 24848855

IUPACdimagnesium;dipotassium;trisulfate;hexahydrate
SMILESO.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[K+].[K+].[Mg+2].[Mg+2]
InChIInChI=1S/2K.2Mg.3H2O4S.6H2O/c;;;;3*1-5(2,3)4;;;;;;/h;;;;3*(H2,1,2,3,4);6*1H2/q2*+1;2*+2;;;;;;;;;/p-6
InChIKeyFAZHGRVTNRBRFE-UHFFFAOYSA-H
MW523.09 g/mol
LogP-15.72
Rot. Bonds

About dimagnesium;dipotassium;trisulfate;hexahydrate

dimagnesium;dipotassium;trisulfate;hexahydrate (PubChem CID 24848855) has the molecular formula H12K2Mg2O18S3 and a molecular weight of 523.09 g/mol. Its IUPAC name is dimagnesium;dipotassium;trisulfate;hexahydrate.

Molecular Properties

Compound Namedimagnesium;dipotassium;trisulfate;hexahydrate
PubChem CID24848855
Molecular FormulaH12K2Mg2O18S3
Molecular Weight523.09 g/mol
Exact Mass521.82
IUPAC Namedimagnesium;dipotassium;trisulfate;hexahydrate
SMILESO.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[K+].[K+].[Mg+2].[Mg+2]
InChIInChI=1S/2K.2Mg.3H2O4S.6H2O/c;;;;3*1-5(2,3)4;;;;;;/h;;;;3*(H2,1,2,3,4);6*1H2/q2*+1;2*+2;;;;;;;;;/p-6
InChIKeyFAZHGRVTNRBRFE-UHFFFAOYSA-H
XLogP-15.72
TPSA429.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.09
LogP ≤ 5-15.72
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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Frequently Asked Questions

What is the IUPAC name of dimagnesium;dipotassium;trisulfate;hexahydrate?
The IUPAC name of dimagnesium;dipotassium;trisulfate;hexahydrate (CID 24848855) is dimagnesium;dipotassium;trisulfate;hexahydrate.
What is the SMILES notation for dimagnesium;dipotassium;trisulfate;hexahydrate?
The canonical SMILES for dimagnesium;dipotassium;trisulfate;hexahydrate is O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[K+].[K+].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;dipotassium;trisulfate;hexahydrate?
The InChIKey is FAZHGRVTNRBRFE-UHFFFAOYSA-H. The full InChI is InChI=1S/2K.2Mg.3H2O4S.6H2O/c;;;;3*1-5(2,3)4;;;;;;/h;;;;3*(H2,1,2,3,4);6*1H2/q2*+1;2*+2;;;;;;;;;/p-6.
What are the key properties of dimagnesium;dipotassium;trisulfate;hexahydrate?
dimagnesium;dipotassium;trisulfate;hexahydrate has a molecular weight of 523.09 g/mol, XLogP of -15.72, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;dipotassium;trisulfate;hexahydrate is sourced from PubChem (CID 24848855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).