magnesium;sodium;hydride;methanedisulfonic acid

CH7MgNaO6S2 — CID 174744552

IUPACmagnesium;sodium;hydride;methanedisulfonic acid
SMILESO=S(=O)(O)CS(=O)(=O)O.[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/CH4O6S2.Mg.Na.3H/c2-8(3,4)1-9(5,6)7;;;;;/h1H2,(H,2,3,4)(H,5,6,7);;;;;/q;+2;+1;3*-1
InChIKeyATDGVSROTNQXSS-UHFFFAOYSA-N
MW226.49 g/mol
LogP-4.32
Rot. Bonds2

About magnesium;sodium;hydride;methanedisulfonic acid

magnesium;sodium;hydride;methanedisulfonic acid (PubChem CID 174744552) has the molecular formula CH7MgNaO6S2 and a molecular weight of 226.49 g/mol. Its IUPAC name is magnesium;sodium;hydride;methanedisulfonic acid.

Molecular Properties

Compound Namemagnesium;sodium;hydride;methanedisulfonic acid
PubChem CID174744552
Molecular FormulaCH7MgNaO6S2
Molecular Weight226.49 g/mol
Exact Mass225.94
IUPAC Namemagnesium;sodium;hydride;methanedisulfonic acid
SMILESO=S(=O)(O)CS(=O)(=O)O.[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/CH4O6S2.Mg.Na.3H/c2-8(3,4)1-9(5,6)7;;;;;/h1H2,(H,2,3,4)(H,5,6,7);;;;;/q;+2;+1;3*-1
InChIKeyATDGVSROTNQXSS-UHFFFAOYSA-N
XLogP-4.32
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.49
LogP ≤ 5-4.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 131856458
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disodium;hydride;sulfuric acid
CID 173215682
disodium;hydride;sulfuric acid
CID 173031766
methane;methanedisulfonic acid;methanedisulfonyl chloride;hydrate
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Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;hydride;methanedisulfonic acid?
The IUPAC name of magnesium;sodium;hydride;methanedisulfonic acid (CID 174744552) is magnesium;sodium;hydride;methanedisulfonic acid.
What is the SMILES notation for magnesium;sodium;hydride;methanedisulfonic acid?
The canonical SMILES for magnesium;sodium;hydride;methanedisulfonic acid is O=S(=O)(O)CS(=O)(=O)O.[H-].[H-].[H-].[Mg+2].[Na+].
What is the InChIKey of magnesium;sodium;hydride;methanedisulfonic acid?
The InChIKey is ATDGVSROTNQXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O6S2.Mg.Na.3H/c2-8(3,4)1-9(5,6)7;;;;;/h1H2,(H,2,3,4)(H,5,6,7);;;;;/q;+2;+1;3*-1.
What are the key properties of magnesium;sodium;hydride;methanedisulfonic acid?
magnesium;sodium;hydride;methanedisulfonic acid has a molecular weight of 226.49 g/mol, XLogP of -4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;hydride;methanedisulfonic acid is sourced from PubChem (CID 174744552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).