magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide

C6H5K2MgO9- — CID 156673974

IUPACmagnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide
SMILESO=C([O-])CC([O-])(C(=O)[O-])C(O)C(=O)[O-].[K+].[K+].[Mg+2].[OH-]
InChIInChI=1S/C6H7O8.2K.Mg.H2O/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;;/h3,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;;1H2/q-1;2*+1;+2;/p-4
InChIKeyWGWQJGXRECMZTN-UHFFFAOYSA-J
MW323.60 g/mol
LogP-13.46
Rot. Bonds5

About magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide

magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide (PubChem CID 156673974) has the molecular formula C6H5K2MgO9- and a molecular weight of 323.60 g/mol. Its IUPAC name is magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide.

Molecular Properties

Compound Namemagnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide
PubChem CID156673974
Molecular FormulaC6H5K2MgO9-
Molecular Weight323.60 g/mol
Exact Mass322.91
IUPAC Namemagnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide
SMILESO=C([O-])CC([O-])(C(=O)[O-])C(O)C(=O)[O-].[K+].[K+].[Mg+2].[OH-]
InChIInChI=1S/C6H7O8.2K.Mg.H2O/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;;/h3,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;;1H2/q-1;2*+1;+2;/p-4
InChIKeyWGWQJGXRECMZTN-UHFFFAOYSA-J
XLogP-13.46
TPSA193.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.60
LogP ≤ 5-13.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate
CID 172638618
tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate
CID 71587862
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate
CID 173124553
calcium 3-carboxy-2,3-dihydroxypentanedioate
CID 170914892
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate
CID 174833879
tetrasodium;2-oxidopropane-1,2,3-tricarboxylate
CID 173195070
tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate
CID 155943519
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
disodium;2,2-bis(sulfanyl)butanedioate
CID 21153096
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
CID 172770656

Frequently Asked Questions

What is the IUPAC name of magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide?
The IUPAC name of magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide (CID 156673974) is magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide.
What is the SMILES notation for magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide?
The canonical SMILES for magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide is O=C([O-])CC([O-])(C(=O)[O-])C(O)C(=O)[O-].[K+].[K+].[Mg+2].[OH-].
What is the InChIKey of magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide?
The InChIKey is WGWQJGXRECMZTN-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H7O8.2K.Mg.H2O/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;;/h3,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;;1H2/q-1;2*+1;+2;/p-4.
What are the key properties of magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide?
magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide has a molecular weight of 323.60 g/mol, XLogP of -13.46, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide is sourced from PubChem (CID 156673974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).