magnesium;hydride;2-sulfopropanoic acid

C3H8MgO5S — CID 174753911

IUPACmagnesium;hydride;2-sulfopropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C3H6O5S.Mg.2H/c1-2(3(4)5)9(6,7)8;;;/h2H,1H3,(H,4,5)(H,6,7,8);;;/q;+2;2*-1
InChIKeyGKCFUIAQTICLBK-UHFFFAOYSA-N
MW180.46 g/mol
LogP-0.81
Rot. Bonds2

About magnesium;hydride;2-sulfopropanoic acid

magnesium;hydride;2-sulfopropanoic acid (PubChem CID 174753911) has the molecular formula C3H8MgO5S and a molecular weight of 180.46 g/mol. Its IUPAC name is magnesium;hydride;2-sulfopropanoic acid.

Molecular Properties

Compound Namemagnesium;hydride;2-sulfopropanoic acid
PubChem CID174753911
Molecular FormulaC3H8MgO5S
Molecular Weight180.46 g/mol
Exact Mass179.99
IUPAC Namemagnesium;hydride;2-sulfopropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C3H6O5S.Mg.2H/c1-2(3(4)5)9(6,7)8;;;/h2H,1H3,(H,4,5)(H,6,7,8);;;/q;+2;2*-1
InChIKeyGKCFUIAQTICLBK-UHFFFAOYSA-N
XLogP-0.81
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.46
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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magnesium;sodium;hydride;2-hydroxypropanoic acid
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magnesium;potassium;2,3-dihydroxybutanedioic acid;hydride;sulfuric acid
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calcium;hydride;2-hydroxy-2-sulfoacetic acid
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Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-sulfopropanoic acid?
The IUPAC name of magnesium;hydride;2-sulfopropanoic acid (CID 174753911) is magnesium;hydride;2-sulfopropanoic acid.
What is the SMILES notation for magnesium;hydride;2-sulfopropanoic acid?
The canonical SMILES for magnesium;hydride;2-sulfopropanoic acid is CC(C(=O)O)S(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-sulfopropanoic acid?
The InChIKey is GKCFUIAQTICLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5S.Mg.2H/c1-2(3(4)5)9(6,7)8;;;/h2H,1H3,(H,4,5)(H,6,7,8);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-sulfopropanoic acid?
magnesium;hydride;2-sulfopropanoic acid has a molecular weight of 180.46 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-sulfopropanoic acid is sourced from PubChem (CID 174753911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).