magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid

C6H10MgO8 — CID 173025437

IUPACmagnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(CC(=O)O)(OO)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H8O8.Mg.2H/c7-3(8)1-6(14-13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;+2;2*-1
InChIKeyJBJNJMKSZALPKG-UHFFFAOYSA-N
MW234.44 g/mol
LogP-0.91
Rot. Bonds6

About magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid

magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid (PubChem CID 173025437) has the molecular formula C6H10MgO8 and a molecular weight of 234.44 g/mol. Its IUPAC name is magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namemagnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid
PubChem CID173025437
Molecular FormulaC6H10MgO8
Molecular Weight234.44 g/mol
Exact Mass234.02
IUPAC Namemagnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(CC(=O)O)(OO)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H8O8.Mg.2H/c7-3(8)1-6(14-13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;+2;2*-1
InChIKeyJBJNJMKSZALPKG-UHFFFAOYSA-N
XLogP-0.91
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-aminoacetyl)oxy-2-oxoethyl]-2-hydroperoxybutanedioic acid
CID 87634829
disodium;hydride;2-(1,2,3-tricarboxypropan-2-yloxycarbonyloxy)propane-1,2,3-tricarboxylic acid
CID 175275851
sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride
CID 173100482
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride
CID 175386311
2-[3-(1,2,3-tricarboxypropan-2-yloxy)propoxy]propane-1,2,3-tricarboxylic acid
CID 58640862
pentacalcium;copper;hydride;bis(2-phosphonooxypropane-1,2,3-tricarboxylic acid)
CID 173287882
2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid
CID 57221790
2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid
CID 87565303
2-oxaldehydoyloxypropane-1,2,3-tricarboxylic acid
CID 54454570
2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide
CID 87735288
2-acetylperoxypropane-1,2,3-tricarboxylic acid
CID 174930883

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid (CID 173025437) is magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(CC(=O)O)(OO)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid?
The InChIKey is JBJNJMKSZALPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O8.Mg.2H/c7-3(8)1-6(14-13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid?
magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid has a molecular weight of 234.44 g/mol, XLogP of -0.91, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 173025437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).