magnesium;dipotassium;disodium;trisulfate

K2MgNa2O12S3 — CID 56842029

IUPACmagnesium;dipotassium;disodium;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[K+].[K+].[Mg+2].[Na+].[Na+]
InChIInChI=1S/2K.Mg.2Na.3H2O4S/c;;;;;3*1-5(2,3)4/h;;;;;3*(H2,1,2,3,4)/q2*+1;+2;2*+1;;;/p-6
InChIKeyRGPGEMGZZATIQL-UHFFFAOYSA-H
MW436.67 g/mol
LogP-16.38
Rot. Bonds

About magnesium;dipotassium;disodium;trisulfate

magnesium;dipotassium;disodium;trisulfate (PubChem CID 56842029) has the molecular formula K2MgNa2O12S3 and a molecular weight of 436.67 g/mol. Its IUPAC name is magnesium;dipotassium;disodium;trisulfate.

Molecular Properties

Compound Namemagnesium;dipotassium;disodium;trisulfate
PubChem CID56842029
Molecular FormulaK2MgNa2O12S3
Molecular Weight436.67 g/mol
Exact Mass435.75
IUPAC Namemagnesium;dipotassium;disodium;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[K+].[K+].[Mg+2].[Na+].[Na+]
InChIInChI=1S/2K.Mg.2Na.3H2O4S/c;;;;;3*1-5(2,3)4/h;;;;;3*(H2,1,2,3,4)/q2*+1;+2;2*+1;;;/p-6
InChIKeyRGPGEMGZZATIQL-UHFFFAOYSA-H
XLogP-16.38
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 5-16.38
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of magnesium;dipotassium;disodium;trisulfate?
The IUPAC name of magnesium;dipotassium;disodium;trisulfate (CID 56842029) is magnesium;dipotassium;disodium;trisulfate.
What is the SMILES notation for magnesium;dipotassium;disodium;trisulfate?
The canonical SMILES for magnesium;dipotassium;disodium;trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[K+].[K+].[Mg+2].[Na+].[Na+].
What is the InChIKey of magnesium;dipotassium;disodium;trisulfate?
The InChIKey is RGPGEMGZZATIQL-UHFFFAOYSA-H. The full InChI is InChI=1S/2K.Mg.2Na.3H2O4S/c;;;;;3*1-5(2,3)4/h;;;;;3*(H2,1,2,3,4)/q2*+1;+2;2*+1;;;/p-6.
What are the key properties of magnesium;dipotassium;disodium;trisulfate?
magnesium;dipotassium;disodium;trisulfate has a molecular weight of 436.67 g/mol, XLogP of -16.38, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipotassium;disodium;trisulfate is sourced from PubChem (CID 56842029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).