magnesium;hydride;2-oxopentanedioic acid

C5H8MgO5 — CID 173080556

IUPACmagnesium;hydride;2-oxopentanedioic acid
SMILESO=C(O)CCC(=O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H6O5.Mg.2H/c6-3(5(9)10)1-2-4(7)8;;;/h1-2H2,(H,7,8)(H,9,10);;;/q;+2;2*-1
InChIKeyXCKNJYABBIFPDE-UHFFFAOYSA-N
MW172.42 g/mol
LogP-0.65
Rot. Bonds4

About magnesium;hydride;2-oxopentanedioic acid

magnesium;hydride;2-oxopentanedioic acid (PubChem CID 173080556) has the molecular formula C5H8MgO5 and a molecular weight of 172.42 g/mol. Its IUPAC name is magnesium;hydride;2-oxopentanedioic acid.

Molecular Properties

Compound Namemagnesium;hydride;2-oxopentanedioic acid
PubChem CID173080556
Molecular FormulaC5H8MgO5
Molecular Weight172.42 g/mol
Exact Mass172.02
IUPAC Namemagnesium;hydride;2-oxopentanedioic acid
SMILESO=C(O)CCC(=O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H6O5.Mg.2H/c6-3(5(9)10)1-2-4(7)8;;;/h1-2H2,(H,7,8)(H,9,10);;;/q;+2;2*-1
InChIKeyXCKNJYABBIFPDE-UHFFFAOYSA-N
XLogP-0.65
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.42
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;2-oxopentanedioic acid
CID 87572846
CID 87242342
CID 87242342
lanthanum;2-oxopentanedioic acid
CID 174979483
2-oxopentanedioic acid;propanoic acid
CID 159621051
2-oxopentanedioic acid;propane-1,2,3-triol
CID 172704231
5-oxohexanoic acid;2-oxopentanedioic acid
CID 158756132
2-oxotridecanedioic acid
CID 57104850
2-oxononadecanedioic acid
CID 19882771
sodium;butanedioic acid;hydride;trihydrate
CID 173259329
sodium;butanedioic acid;hydride;iron
CID 173304011
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-oxopentanedioic acid?
The IUPAC name of magnesium;hydride;2-oxopentanedioic acid (CID 173080556) is magnesium;hydride;2-oxopentanedioic acid.
What is the SMILES notation for magnesium;hydride;2-oxopentanedioic acid?
The canonical SMILES for magnesium;hydride;2-oxopentanedioic acid is O=C(O)CCC(=O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-oxopentanedioic acid?
The InChIKey is XCKNJYABBIFPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5.Mg.2H/c6-3(5(9)10)1-2-4(7)8;;;/h1-2H2,(H,7,8)(H,9,10);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-oxopentanedioic acid?
magnesium;hydride;2-oxopentanedioic acid has a molecular weight of 172.42 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-oxopentanedioic acid is sourced from PubChem (CID 173080556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).