dimagnesium bis(2-(carboxymethoxy)butanedioate)

C12H12Mg2O14 — CID 160715179

IUPACdimagnesium bis(2-(carboxymethoxy)butanedioate)
SMILESO=C([O-])CC(OCC(=O)O)C(=O)[O-].O=C([O-])CC(OCC(=O)O)C(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H8O7.2Mg/c2*7-4(8)1-3(6(11)12)13-2-5(9)10;;/h2*3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;;2*+2/p-4
InChIKeyRSJJCRNKCWPXHH-UHFFFAOYSA-J
MW428.82 g/mol
LogP-8.07
Rot. Bonds12

About dimagnesium bis(2-(carboxymethoxy)butanedioate)

dimagnesium bis(2-(carboxymethoxy)butanedioate) (PubChem CID 160715179) has the molecular formula C12H12Mg2O14 and a molecular weight of 428.82 g/mol. Its IUPAC name is dimagnesium bis(2-(carboxymethoxy)butanedioate).

Molecular Properties

Compound Namedimagnesium bis(2-(carboxymethoxy)butanedioate)
PubChem CID160715179
Molecular FormulaC12H12Mg2O14
Molecular Weight428.82 g/mol
Exact Mass427.99
IUPAC Namedimagnesium bis(2-(carboxymethoxy)butanedioate)
SMILESO=C([O-])CC(OCC(=O)O)C(=O)[O-].O=C([O-])CC(OCC(=O)O)C(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H8O7.2Mg/c2*7-4(8)1-3(6(11)12)13-2-5(9)10;;/h2*3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;;2*+2/p-4
InChIKeyRSJJCRNKCWPXHH-UHFFFAOYSA-J
XLogP-8.07
TPSA253.58 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.82
LogP ≤ 5-8.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

dipotassium;sodium;2-(carboxylatomethoxy)butanedioate
CID 172785567
CID 159903683
CID 159903683
trisodium;2-(carboxymethoxy)butanedioic acid;hydride
CID 173014091
tetrasodium bis(2-(carboxymethoxy)-3-(carboxymethyl)butanedioate)
CID 173462030
3-(carboxymethoxy)-3-hydroxypropanoic acid
CID 173213514
barium(2+);2-(carboxylatomethoxy)butanoate
CID 87916357
tetrasodium;2-(carboxymethyl)-2-(1,2-dicarboxylatoethoxy)butanedioate
CID 139635071
calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
CID 140602404
tetrasodium bis(2-[carboxy(sulfo)methoxy]butanedioate)
CID 173303437
calcium;magnesium;2-(1,2-dicarboxylatoethylamino)butanedioate
CID 87157443
dilithium;2-(2-methylprop-2-enoyloxy)butanedioate
CID 122611626
calcium;sodium;2-[(2-carboxy-1-carboxylatoethyl)amino]butanedioate
CID 175697415

Frequently Asked Questions

What is the IUPAC name of dimagnesium bis(2-(carboxymethoxy)butanedioate)?
The IUPAC name of dimagnesium bis(2-(carboxymethoxy)butanedioate) (CID 160715179) is dimagnesium bis(2-(carboxymethoxy)butanedioate).
What is the SMILES notation for dimagnesium bis(2-(carboxymethoxy)butanedioate)?
The canonical SMILES for dimagnesium bis(2-(carboxymethoxy)butanedioate) is O=C([O-])CC(OCC(=O)O)C(=O)[O-].O=C([O-])CC(OCC(=O)O)C(=O)[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium bis(2-(carboxymethoxy)butanedioate)?
The InChIKey is RSJJCRNKCWPXHH-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H8O7.2Mg/c2*7-4(8)1-3(6(11)12)13-2-5(9)10;;/h2*3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;;2*+2/p-4.
What are the key properties of dimagnesium bis(2-(carboxymethoxy)butanedioate)?
dimagnesium bis(2-(carboxymethoxy)butanedioate) has a molecular weight of 428.82 g/mol, XLogP of -8.07, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium bis(2-(carboxymethoxy)butanedioate) is sourced from PubChem (CID 160715179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).