magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)

C6H6FeMgO8 — CID 172769330

IUPACmagnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Fe+2].[Mg+2].[O-2]
InChIInChI=1S/C6H8O7.Fe.Mg.O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;2*+2;-2/p-2
InChIKeyMSWMMGSSYQLMJG-UHFFFAOYSA-L
MW286.26 g/mol
LogP-4.42
Rot. Bonds5

About magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)

magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-) (PubChem CID 172769330) has the molecular formula C6H6FeMgO8 and a molecular weight of 286.26 g/mol. Its IUPAC name is magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-).

Molecular Properties

Compound Namemagnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)
PubChem CID172769330
Molecular FormulaC6H6FeMgO8
Molecular Weight286.26 g/mol
Exact Mass285.93
IUPAC Namemagnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Fe+2].[Mg+2].[O-2]
InChIInChI=1S/C6H8O7.Fe.Mg.O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;2*+2;-2/p-2
InChIKeyMSWMMGSSYQLMJG-UHFFFAOYSA-L
XLogP-4.42
TPSA166.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 5-4.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;carbonic acid;3-carboxy-3-hydroxypentanedioate
CID 173139315
3-carboxy-3-hydroxypentanedioate;strontium-87(2+)
CID 172866726
lithium;silver;3-carboxy-3-hydroxypentanedioate
CID 87575243
gallium;3-carboxy-3-hydroxypentanedioate;hydroxide
CID 6711621
dicalcium;3-carboxy-3-hydroxypentanedioate;carbonate
CID 158635145
aluminum;3-carboxy-3-hydroxypentanedioate;chloride
CID 88516210
CID 156787534
CID 156787534
potassium;carbonic acid;3-carboxy-3,5-dihydroxy-5-oxopentanoate
CID 158416399
sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 23689315
calcium;sodium;3-carboxy-3-hydroxypentanedioate;chloride;hydrochloride
CID 172823091
calcium;3-carboxy-3-hydroxypentanedioate;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 161442924
diazanium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158907064

Frequently Asked Questions

What is the IUPAC name of magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)?
The IUPAC name of magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-) (CID 172769330) is magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-).
What is the SMILES notation for magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)?
The canonical SMILES for magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-) is O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Fe+2].[Mg+2].[O-2].
What is the InChIKey of magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)?
The InChIKey is MSWMMGSSYQLMJG-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8O7.Fe.Mg.O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;2*+2;-2/p-2.
What are the key properties of magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)?
magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-) has a molecular weight of 286.26 g/mol, XLogP of -4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-) is sourced from PubChem (CID 172769330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).