magnesium;dipotassium;sulfuric acid;disulfate

H2K2MgO12S3 — CID 57348205

IUPACmagnesium;dipotassium;sulfuric acid;disulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[K+].[K+].[Mg+2]
InChIInChI=1S/2K.Mg.3H2O4S/c;;;3*1-5(2,3)4/h;;;3*(H2,1,2,3,4)/q2*+1;+2;;;/p-4
InChIKeyRDIXYQSSLSSHOY-UHFFFAOYSA-J
MW392.71 g/mol
LogP-9.70
Rot. Bonds

About magnesium;dipotassium;sulfuric acid;disulfate

magnesium;dipotassium;sulfuric acid;disulfate (PubChem CID 57348205) has the molecular formula H2K2MgO12S3 and a molecular weight of 392.71 g/mol. Its IUPAC name is magnesium;dipotassium;sulfuric acid;disulfate.

Molecular Properties

Compound Namemagnesium;dipotassium;sulfuric acid;disulfate
PubChem CID57348205
Molecular FormulaH2K2MgO12S3
Molecular Weight392.71 g/mol
Exact Mass391.78
IUPAC Namemagnesium;dipotassium;sulfuric acid;disulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[K+].[K+].[Mg+2]
InChIInChI=1S/2K.Mg.3H2O4S/c;;;3*1-5(2,3)4/h;;;3*(H2,1,2,3,4)/q2*+1;+2;;;/p-4
InChIKeyRDIXYQSSLSSHOY-UHFFFAOYSA-J
XLogP-9.70
TPSA235.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.71
LogP ≤ 5-9.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of magnesium;dipotassium;sulfuric acid;disulfate?
The IUPAC name of magnesium;dipotassium;sulfuric acid;disulfate (CID 57348205) is magnesium;dipotassium;sulfuric acid;disulfate.
What is the SMILES notation for magnesium;dipotassium;sulfuric acid;disulfate?
The canonical SMILES for magnesium;dipotassium;sulfuric acid;disulfate is O=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[K+].[K+].[Mg+2].
What is the InChIKey of magnesium;dipotassium;sulfuric acid;disulfate?
The InChIKey is RDIXYQSSLSSHOY-UHFFFAOYSA-J. The full InChI is InChI=1S/2K.Mg.3H2O4S/c;;;3*1-5(2,3)4/h;;;3*(H2,1,2,3,4)/q2*+1;+2;;;/p-4.
What are the key properties of magnesium;dipotassium;sulfuric acid;disulfate?
magnesium;dipotassium;sulfuric acid;disulfate has a molecular weight of 392.71 g/mol, XLogP of -9.70, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipotassium;sulfuric acid;disulfate is sourced from PubChem (CID 57348205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).