magnesium 2-(carboxymethyl)-2-hydroxybutanedioate

C6H6MgO7 — CID 91886505

IUPACmagnesium 2-(carboxymethyl)-2-hydroxybutanedioate
SMILESO=C([O-])CC(O)(CC(=O)O)C(=O)[O-].[Mg+2]
InChIInChI=1S/C6H8O7.Mg/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/p-2
InChIKeyDIXGJWCZQHXZNR-UHFFFAOYSA-L
MW214.41 g/mol
LogP-4.30
Rot. Bonds5

About magnesium 2-(carboxymethyl)-2-hydroxybutanedioate

magnesium 2-(carboxymethyl)-2-hydroxybutanedioate (PubChem CID 91886505) has the molecular formula C6H6MgO7 and a molecular weight of 214.41 g/mol. Its IUPAC name is magnesium 2-(carboxymethyl)-2-hydroxybutanedioate.

Molecular Properties

Compound Namemagnesium 2-(carboxymethyl)-2-hydroxybutanedioate
PubChem CID91886505
Molecular FormulaC6H6MgO7
Molecular Weight214.41 g/mol
Exact Mass214.00
IUPAC Namemagnesium 2-(carboxymethyl)-2-hydroxybutanedioate
SMILESO=C([O-])CC(O)(CC(=O)O)C(=O)[O-].[Mg+2]
InChIInChI=1S/C6H8O7.Mg/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/p-2
InChIKeyDIXGJWCZQHXZNR-UHFFFAOYSA-L
XLogP-4.30
TPSA137.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.41
LogP ≤ 5-4.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tris(2-(carboxymethyl)-2-hydroxybutanedioate);bis(iron(3+))
CID 173170506
aluminum;azane;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-(carboxymethyl)-2-hydroxybutanedioate
CID 173284273
sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)
CID 139596389
potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate
CID 174712440
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-hydroxypropane-1,2,3-tricarboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid;titanium(4+)
CID 158572347
trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173326194
copper bis(2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate)
CID 159582063
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate
CID 53249332
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
CID 172770656
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;tris(2-hydroxypropane-1,2,3-tricarboxylic acid);trihydrate
CID 173324118
potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane
CID 172750704
dicalcium;hydrogen carbonate;2-hydroxypropane-1,2,3-tricarboxylate
CID 174838282

Frequently Asked Questions

What is the IUPAC name of magnesium 2-(carboxymethyl)-2-hydroxybutanedioate?
The IUPAC name of magnesium 2-(carboxymethyl)-2-hydroxybutanedioate (CID 91886505) is magnesium 2-(carboxymethyl)-2-hydroxybutanedioate.
What is the SMILES notation for magnesium 2-(carboxymethyl)-2-hydroxybutanedioate?
The canonical SMILES for magnesium 2-(carboxymethyl)-2-hydroxybutanedioate is O=C([O-])CC(O)(CC(=O)O)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium 2-(carboxymethyl)-2-hydroxybutanedioate?
The InChIKey is DIXGJWCZQHXZNR-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8O7.Mg/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/p-2.
What are the key properties of magnesium 2-(carboxymethyl)-2-hydroxybutanedioate?
magnesium 2-(carboxymethyl)-2-hydroxybutanedioate has a molecular weight of 214.41 g/mol, XLogP of -4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-(carboxymethyl)-2-hydroxybutanedioate is sourced from PubChem (CID 91886505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).