magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride

C2H18Cl2KMgNaO14S3 — CID 174885353

About magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride

magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride (PubChem CID 174885353) has the molecular formula C2H18Cl2KMgNaO14S3 and a molecular weight of 519.65 g/mol. Its IUPAC name is magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride.

Molecular Properties

• Compound Name: magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride
• PubChem CID: 174885353
• Molecular Formula: C2H18Cl2KMgNaO14S3
• Molecular Weight: 519.65 g/mol
• Exact Mass: 517.86
• IUPAC Name: magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride
• SMILES: Cl.Cl.O.O.O=C(O)O.O=CO.O=S(=O)(O)O.O=S(O)(O)=S.[H-].[H-].[H-].[H-].[K+].[Mg+2].[Na+]
• InChI: InChI=1S/CH2O3.CH2O2.2ClH.K.Mg.Na.H2O4S.H2O3S2.2H2O.4H/c2-1(3)4;2-1-3;;;;;;2*1-5(2,3)4;;;;;;/h(H2,2,3,4);1H,(H,2,3);2*1H;;;;2*(H2,1,2,3,4);2*1H2;;;;/q;;;;+1;+2;+1;;;;;4*-1
• InChIKey: NRIYZTQNSJRYGN-UHFFFAOYSA-N
• XLogP: -7.78
• TPSA: 289.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.65
LogP ≤ 5	-7.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride?

The IUPAC name of magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride (CID 174885353) is magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride.

What is the SMILES notation for magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride?

The canonical SMILES for magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride is Cl.Cl.O.O.O=C(O)O.O=CO.O=S(=O)(O)O.O=S(O)(O)=S.[H-].[H-].[H-].[H-].[K+].[Mg+2].[Na+].

What is the InChIKey of magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride?

The InChIKey is NRIYZTQNSJRYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.CH2O2.2ClH.K.Mg.Na.H2O4S.H2O3S2.2H2O.4H/c2-1(3)4;2-1-3;;;;;;2*1-5(2,3)4;;;;;;/h(H2,2,3,4);1H,(H,2,3);2*1H;;;;2*(H2,1,2,3,4);2*1H2;;;;/q;;;;+1;+2;+1;;;;;4*-1.

What are the key properties of magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride?

magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride has a molecular weight of 519.65 g/mol, XLogP of -7.78, 0 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;potassium;sodium;carbonic acid;formic acid;hydride;sulfuric acid;sulfurothioic O-acid;dihydrate;dihydrochloride is sourced from PubChem (CID 174885353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).