potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid

C6H9KO8 — CID 173087123

IUPACpotassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(CC(=O)OO)C(=O)O.[H-].[K+]
InChIInChI=1S/C6H8O8.K.H/c7-3(8)1-6(12,5(10)11)2-4(9)14-13;;/h12-13H,1-2H2,(H,7,8)(H,10,11);;/q;+1;-1
InChIKeyCPYJLKRSZVSNBU-UHFFFAOYSA-N
MW248.23 g/mol
LogP-4.20
Rot. Bonds5

About potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid

potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid (PubChem CID 173087123) has the molecular formula C6H9KO8 and a molecular weight of 248.23 g/mol. Its IUPAC name is potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid.

Molecular Properties

Compound Namepotassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid
PubChem CID173087123
Molecular FormulaC6H9KO8
Molecular Weight248.23 g/mol
Exact Mass247.99
IUPAC Namepotassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(CC(=O)OO)C(=O)O.[H-].[K+]
InChIInChI=1S/C6H8O8.K.H/c7-3(8)1-6(12,5(10)11)2-4(9)14-13;;/h12-13H,1-2H2,(H,7,8)(H,10,11);;/q;+1;-1
InChIKeyCPYJLKRSZVSNBU-UHFFFAOYSA-N
XLogP-4.20
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-4.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum
CID 87975586
potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride
CID 174888423
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482
potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium
CID 173322297
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174842577
hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
CID 173194055
lithium;potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173039774
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 170923205
calcium;disodium;carbonic acid;carbonoperoxoic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173332044
2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;hydrate
CID 87357727
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;oxalic acid;titanium
CID 175228302

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid?
The IUPAC name of potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid (CID 173087123) is potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid.
What is the SMILES notation for potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid?
The canonical SMILES for potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid is O=C(O)CC(O)(CC(=O)OO)C(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid?
The InChIKey is CPYJLKRSZVSNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O8.K.H/c7-3(8)1-6(12,5(10)11)2-4(9)14-13;;/h12-13H,1-2H2,(H,7,8)(H,10,11);;/q;+1;-1.
What are the key properties of potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid?
potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid has a molecular weight of 248.23 g/mol, XLogP of -4.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid is sourced from PubChem (CID 173087123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).