magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride

C7H10MgO9 — CID 173155147

IUPACmagnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
SMILESO=C(O)CC(O)(CC(=O)OC(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H8O9.Mg.2H/c8-3(9)1-7(15,5(11)12)2-4(10)16-6(13)14;;;/h15H,1-2H2,(H,8,9)(H,11,12)(H,13,14);;;/q;+2;2*-1
InChIKeyAVWXYQROYGMNOG-UHFFFAOYSA-N
MW262.45 g/mol
LogP-1.27
Rot. Bonds5

About magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride

magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride (PubChem CID 173155147) has the molecular formula C7H10MgO9 and a molecular weight of 262.45 g/mol. Its IUPAC name is magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
PubChem CID173155147
Molecular FormulaC7H10MgO9
Molecular Weight262.45 g/mol
Exact Mass262.02
IUPAC Namemagnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
SMILESO=C(O)CC(O)(CC(=O)OC(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H8O9.Mg.2H/c8-3(9)1-7(15,5(11)12)2-4(10)16-6(13)14;;;/h15H,1-2H2,(H,8,9)(H,11,12)(H,13,14);;;/q;+2;2*-1
InChIKeyAVWXYQROYGMNOG-UHFFFAOYSA-N
XLogP-1.27
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.45
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

disodium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride;sulfuric acid
CID 173287176
potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride
CID 174888423
2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;hydrate
CID 87357727
trimagnesium;carbonic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173041286
magnesium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hexahydrate
CID 173498708
trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
CID 173246705
2-[2-(3,3-dimethylbutanoyloxy)-2-oxoethyl]-2-hydroxybutanedioic acid
CID 87570353
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 173087123
sodium;2-[2-(2,2-diethylbutanoyloxy)-2-oxoethyl]-2-hydroxybutanedioic acid;hydride
CID 174761815
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
barium(2+);hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173410096

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride?
The IUPAC name of magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride (CID 173155147) is magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride.
What is the SMILES notation for magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride?
The canonical SMILES for magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride is O=C(O)CC(O)(CC(=O)OC(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride?
The InChIKey is AVWXYQROYGMNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O9.Mg.2H/c8-3(9)1-7(15,5(11)12)2-4(10)16-6(13)14;;;/h15H,1-2H2,(H,8,9)(H,11,12)(H,13,14);;;/q;+2;2*-1.
What are the key properties of magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride?
magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride has a molecular weight of 262.45 g/mol, XLogP of -1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride is sourced from PubChem (CID 173155147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).