magnesium;2,2-disulfobutanedioic acid;hydride

C4H8MgO10S2 — CID 175074365

IUPACmagnesium;2,2-disulfobutanedioic acid;hydride
SMILESO=C(O)CC(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H6O10S2.Mg.2H/c5-2(6)1-4(3(7)8,15(9,10)11)16(12,13)14;;;/h1H2,(H,5,6)(H,7,8)(H,9,10,11)(H,12,13,14);;;/q;+2;2*-1
InChIKeyQRADUXFEEFFHLS-UHFFFAOYSA-N
MW304.54 g/mol
LogP-2.14
Rot. Bonds5

About magnesium;2,2-disulfobutanedioic acid;hydride

magnesium;2,2-disulfobutanedioic acid;hydride (PubChem CID 175074365) has the molecular formula C4H8MgO10S2 and a molecular weight of 304.54 g/mol. Its IUPAC name is magnesium;2,2-disulfobutanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2,2-disulfobutanedioic acid;hydride
PubChem CID175074365
Molecular FormulaC4H8MgO10S2
Molecular Weight304.54 g/mol
Exact Mass303.94
IUPAC Namemagnesium;2,2-disulfobutanedioic acid;hydride
SMILESO=C(O)CC(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H6O10S2.Mg.2H/c5-2(6)1-4(3(7)8,15(9,10)11)16(12,13)14;;;/h1H2,(H,5,6)(H,7,8)(H,9,10,11)(H,12,13,14);;;/q;+2;2*-1
InChIKeyQRADUXFEEFFHLS-UHFFFAOYSA-N
XLogP-2.14
TPSA183.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.54
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze magnesium;2,2-disulfobutanedioic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-hydroxypropane-1,2,3-tricarboxylic acid);sulfuric acid
CID 157056934
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);sulfuric acid;zinc
CID 174551942
4-[2-(2-hydroxyethoxy)ethoxy]-4-oxo-3,3-disulfobutanoic acid
CID 88719259
2-methoxy-2-sulfobutanedioic acid
CID 21450062
trimagnesium;carbonic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173041286
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
magnesium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hexahydrate
CID 173498708
trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
CID 173246705
trisodium;2-(carboxymethyl)-1-sulfopropane-1,2,3-tricarboxylic acid
CID 66557976
potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158620853
lithium;potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173039774

Frequently Asked Questions

What is the IUPAC name of magnesium;2,2-disulfobutanedioic acid;hydride?
The IUPAC name of magnesium;2,2-disulfobutanedioic acid;hydride (CID 175074365) is magnesium;2,2-disulfobutanedioic acid;hydride.
What is the SMILES notation for magnesium;2,2-disulfobutanedioic acid;hydride?
The canonical SMILES for magnesium;2,2-disulfobutanedioic acid;hydride is O=C(O)CC(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2,2-disulfobutanedioic acid;hydride?
The InChIKey is QRADUXFEEFFHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O10S2.Mg.2H/c5-2(6)1-4(3(7)8,15(9,10)11)16(12,13)14;;;/h1H2,(H,5,6)(H,7,8)(H,9,10,11)(H,12,13,14);;;/q;+2;2*-1.
What are the key properties of magnesium;2,2-disulfobutanedioic acid;hydride?
magnesium;2,2-disulfobutanedioic acid;hydride has a molecular weight of 304.54 g/mol, XLogP of -2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2-disulfobutanedioic acid;hydride is sourced from PubChem (CID 175074365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).