trilithium;bis(2-oxopropanoic acid);borate

C6H8BLi3O9 — CID 175964793

IUPACtrilithium;bis(2-oxopropanoic acid);borate
SMILESCC(=O)C(=O)O.CC(=O)C(=O)O.[Li+].[Li+].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/2C3H4O3.BO3.3Li/c2*1-2(4)3(5)6;2-1(3)4;;;/h2*1H3,(H,5,6);;;;/q;;-3;3*+1
InChIKeyIRDXGCPWKPLZHZ-UHFFFAOYSA-N
MW255.76 g/mol
LogP-13.62
Rot. Bonds2

About trilithium;bis(2-oxopropanoic acid);borate

trilithium;bis(2-oxopropanoic acid);borate (PubChem CID 175964793) has the molecular formula C6H8BLi3O9 and a molecular weight of 255.76 g/mol. Its IUPAC name is trilithium;bis(2-oxopropanoic acid);borate.

Molecular Properties

Compound Nametrilithium;bis(2-oxopropanoic acid);borate
PubChem CID175964793
Molecular FormulaC6H8BLi3O9
Molecular Weight255.76 g/mol
Exact Mass256.07
IUPAC Nametrilithium;bis(2-oxopropanoic acid);borate
SMILESCC(=O)C(=O)O.CC(=O)C(=O)O.[Li+].[Li+].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/2C3H4O3.BO3.3Li/c2*1-2(4)3(5)6;2-1(3)4;;;/h2*1H3,(H,5,6);;;;/q;;-3;3*+1
InChIKeyIRDXGCPWKPLZHZ-UHFFFAOYSA-N
XLogP-13.62
TPSA177.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 5-13.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

manganese(2+);2-oxopropanoic acid
CID 162367990
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CID 131870939
CID 131870939
strontium 2-oxopropanoic acid
CID 10154276
iridium;2-oxopropanoic acid
CID 174870791
sodium;2-oxopropanoic acid;chloride
CID 173324944
2-oxopropanoic acid;titanium;zirconium
CID 174908427
trilithium;2,2-difluoroacetic acid;oxalic acid;borate
CID 174747516
ethanol;bis(2-oxopropanoic acid)
CID 159682391
lithium;acetic acid;hydride;oxalic acid
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lithium;manganese(2+);diacetate;hydroxide
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Frequently Asked Questions

What is the IUPAC name of trilithium;bis(2-oxopropanoic acid);borate?
The IUPAC name of trilithium;bis(2-oxopropanoic acid);borate (CID 175964793) is trilithium;bis(2-oxopropanoic acid);borate.
What is the SMILES notation for trilithium;bis(2-oxopropanoic acid);borate?
The canonical SMILES for trilithium;bis(2-oxopropanoic acid);borate is CC(=O)C(=O)O.CC(=O)C(=O)O.[Li+].[Li+].[Li+].[O-]B([O-])[O-].
What is the InChIKey of trilithium;bis(2-oxopropanoic acid);borate?
The InChIKey is IRDXGCPWKPLZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4O3.BO3.3Li/c2*1-2(4)3(5)6;2-1(3)4;;;/h2*1H3,(H,5,6);;;;/q;;-3;3*+1.
What are the key properties of trilithium;bis(2-oxopropanoic acid);borate?
trilithium;bis(2-oxopropanoic acid);borate has a molecular weight of 255.76 g/mol, XLogP of -13.62, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;bis(2-oxopropanoic acid);borate is sourced from PubChem (CID 175964793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).