magnesium;2,3-disulfobutanedioic acid;hydride

C4H8MgO10S2 — CID 175074366

IUPACmagnesium;2,3-disulfobutanedioic acid;hydride
SMILESO=C(O)C(C(C(=O)O)S(=O)(=O)O)S(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H6O10S2.Mg.2H/c5-3(6)1(15(9,10)11)2(4(7)8)16(12,13)14;;;/h1-2H,(H,5,6)(H,7,8)(H,9,10,11)(H,12,13,14);;;/q;+2;2*-1
InChIKeyOFFCKVAVBOIRDA-UHFFFAOYSA-N
MW304.54 g/mol
LogP-2.49
Rot. Bonds5

About magnesium;2,3-disulfobutanedioic acid;hydride

magnesium;2,3-disulfobutanedioic acid;hydride (PubChem CID 175074366) has the molecular formula C4H8MgO10S2 and a molecular weight of 304.54 g/mol. Its IUPAC name is magnesium;2,3-disulfobutanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2,3-disulfobutanedioic acid;hydride
PubChem CID175074366
Molecular FormulaC4H8MgO10S2
Molecular Weight304.54 g/mol
Exact Mass303.94
IUPAC Namemagnesium;2,3-disulfobutanedioic acid;hydride
SMILESO=C(O)C(C(C(=O)O)S(=O)(=O)O)S(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H6O10S2.Mg.2H/c5-3(6)1(15(9,10)11)2(4(7)8)16(12,13)14;;;/h1-2H,(H,5,6)(H,7,8)(H,9,10,11)(H,12,13,14);;;/q;+2;2*-1
InChIKeyOFFCKVAVBOIRDA-UHFFFAOYSA-N
XLogP-2.49
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 ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(2,3-disulfobutanedioic acid);zinc
CID 155678413
azane;2,3-disulfobutanedioic acid
CID 88831180
magnesium;hydride;2-sulfopropanoic acid
CID 174753911
magnesium;potassium;2,3-dihydroxybutanedioic acid;hydride;sulfuric acid
CID 174389958
calcium;hydride;2-hydroxy-2-sulfoacetic acid
CID 174453364
strontium;hydride;2-hydroxy-2-sulfoacetic acid
CID 174524960
2-(3-methylbutyl)-3-sulfobutanedioic acid
CID 57004035
potassium;2-hexadecyl-3-sulfobutanedioic acid;hydride
CID 175203485
dilithium;carbonic acid;hydride;sulfuric acid
CID 173345515
2-methylidene-3-sulfobutanedioic acid
CID 174404330
barium(2+);2-sulfopropanoic acid
CID 54607271
4-ethylperoxy-3-hydroxy-4-oxo-2-sulfobutanoic acid
CID 173453073

Frequently Asked Questions

What is the IUPAC name of magnesium;2,3-disulfobutanedioic acid;hydride?
The IUPAC name of magnesium;2,3-disulfobutanedioic acid;hydride (CID 175074366) is magnesium;2,3-disulfobutanedioic acid;hydride.
What is the SMILES notation for magnesium;2,3-disulfobutanedioic acid;hydride?
The canonical SMILES for magnesium;2,3-disulfobutanedioic acid;hydride is O=C(O)C(C(C(=O)O)S(=O)(=O)O)S(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2,3-disulfobutanedioic acid;hydride?
The InChIKey is OFFCKVAVBOIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O10S2.Mg.2H/c5-3(6)1(15(9,10)11)2(4(7)8)16(12,13)14;;;/h1-2H,(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;2,3-disulfobutanedioic acid;hydride?
magnesium;2,3-disulfobutanedioic acid;hydride has a molecular weight of 304.54 g/mol, XLogP of -2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,3-disulfobutanedioic acid;hydride is sourced from PubChem (CID 175074366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).