2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum

C6H8LaO8 — CID 87975586

IUPAC2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum
SMILESO=C(O)CC(O)(CC(=O)OO)C(=O)O.[La]
InChIInChI=1S/C6H8O8.La/c7-3(8)1-6(12,5(10)11)2-4(9)14-13;/h12-13H,1-2H2,(H,7,8)(H,10,11);
InChIKeyRXCCBYSUXBAOKF-UHFFFAOYSA-N
MW347.03 g/mol
LogP-1.32
Rot. Bonds5

About 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum

2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum (PubChem CID 87975586) has the molecular formula C6H8LaO8 and a molecular weight of 347.03 g/mol. Its IUPAC name is 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum.

Molecular Properties

Compound Name2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum
PubChem CID87975586
Molecular FormulaC6H8LaO8
Molecular Weight347.03 g/mol
Exact Mass346.93
IUPAC Name2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum
SMILESO=C(O)CC(O)(CC(=O)OO)C(=O)O.[La]
InChIInChI=1S/C6H8O8.La/c7-3(8)1-6(12,5(10)11)2-4(9)14-13;/h12-13H,1-2H2,(H,7,8)(H,10,11);
InChIKeyRXCCBYSUXBAOKF-UHFFFAOYSA-N
XLogP-1.32
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.03
LogP ≤ 5-1.32
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

potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 173087123
2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;hydrate
CID 87357727
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
CID 173004565
CID 173004565
CID 24997986
CID 24997986
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum?
The IUPAC name of 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum (CID 87975586) is 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum.
What is the SMILES notation for 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum?
The canonical SMILES for 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum is O=C(O)CC(O)(CC(=O)OO)C(=O)O.[La].
What is the InChIKey of 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum?
The InChIKey is RXCCBYSUXBAOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O8.La/c7-3(8)1-6(12,5(10)11)2-4(9)14-13;/h12-13H,1-2H2,(H,7,8)(H,10,11);.
What are the key properties of 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum?
2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum has a molecular weight of 347.03 g/mol, XLogP of -1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum is sourced from PubChem (CID 87975586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).