lithium;2-hydroxy-2-oxoacetate;oxalic acid

C8H7LiO16 — CID 158730065

IUPAClithium;2-hydroxy-2-oxoacetate;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C([O-])C(=O)O.[Li+]
InChIInChI=1S/4C2H2O4.Li/c4*3-1(4)2(5)6;/h4*(H,3,4)(H,5,6);/q;;;;+1/p-1
InChIKeyMBALTPAFOGWUEP-UHFFFAOYSA-M
MW366.07 g/mol
LogP-7.71
Rot. Bonds

About lithium;2-hydroxy-2-oxoacetate;oxalic acid

lithium;2-hydroxy-2-oxoacetate;oxalic acid (PubChem CID 158730065) has the molecular formula C8H7LiO16 and a molecular weight of 366.07 g/mol. Its IUPAC name is lithium;2-hydroxy-2-oxoacetate;oxalic acid.

Molecular Properties

Compound Namelithium;2-hydroxy-2-oxoacetate;oxalic acid
PubChem CID158730065
Molecular FormulaC8H7LiO16
Molecular Weight366.07 g/mol
Exact Mass365.99
IUPAC Namelithium;2-hydroxy-2-oxoacetate;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C([O-])C(=O)O.[Li+]
InChIInChI=1S/4C2H2O4.Li/c4*3-1(4)2(5)6;/h4*(H,3,4)(H,5,6);/q;;;;+1/p-1
InChIKeyMBALTPAFOGWUEP-UHFFFAOYSA-M
XLogP-7.71
TPSA301.23 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.07
LogP ≤ 5-7.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

hydron;2-hydroxy-2-oxoacetate
CID 173323775
sodium;2-hydroxy-2-oxoacetate;hydrochloride
CID 141113765
azane;hydron;2-hydroxy-2-oxoacetate
CID 173005395
bis(2-hydroxy-2-oxoacetate);oxotitanium
CID 50910318
dicesium;oxalate;oxalic acid
CID 139047243
ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid
CID 139053074
dipotassium;2-hydroxy-2-oxoacetate;nitrite
CID 176892574
lithium;oxalic acid;chloride
CID 175547992
dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate
CID 159492381
sodium;2-hydroxy-2-oxoacetate;phosphoric acid
CID 159452924
tetrapotassium;hydride;oxalic acid;dihydrate
CID 175013375
potassium;hydride;niobium;oxalic acid
CID 175228480

Frequently Asked Questions

What is the IUPAC name of lithium;2-hydroxy-2-oxoacetate;oxalic acid?
The IUPAC name of lithium;2-hydroxy-2-oxoacetate;oxalic acid (CID 158730065) is lithium;2-hydroxy-2-oxoacetate;oxalic acid.
What is the SMILES notation for lithium;2-hydroxy-2-oxoacetate;oxalic acid?
The canonical SMILES for lithium;2-hydroxy-2-oxoacetate;oxalic acid is O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C([O-])C(=O)O.[Li+].
What is the InChIKey of lithium;2-hydroxy-2-oxoacetate;oxalic acid?
The InChIKey is MBALTPAFOGWUEP-UHFFFAOYSA-M. The full InChI is InChI=1S/4C2H2O4.Li/c4*3-1(4)2(5)6;/h4*(H,3,4)(H,5,6);/q;;;;+1/p-1.
What are the key properties of lithium;2-hydroxy-2-oxoacetate;oxalic acid?
lithium;2-hydroxy-2-oxoacetate;oxalic acid has a molecular weight of 366.07 g/mol, XLogP of -7.71, 0 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-hydroxy-2-oxoacetate;oxalic acid is sourced from PubChem (CID 158730065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).