trilithium;2-hydroxypropane-1,2,3-tricarboxylate

C6H5Li3O7 — CID 13520

IUPACtrilithium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyWJSIUCDMWSDDCE-UHFFFAOYSA-K
MW209.92 g/mol
LogP-14.24
Rot. Bonds5

About trilithium;2-hydroxypropane-1,2,3-tricarboxylate

trilithium;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 13520) has the molecular formula C6H5Li3O7 and a molecular weight of 209.92 g/mol. Its IUPAC name is trilithium;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametrilithium;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID13520
Molecular FormulaC6H5Li3O7
Molecular Weight209.92 g/mol
Exact Mass210.05
IUPAC Nametrilithium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyWJSIUCDMWSDDCE-UHFFFAOYSA-K
XLogP-14.24
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.92
LogP ≤ 5-14.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze trilithium;2-hydroxypropane-1,2,3-tricarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Citric Acid
CID 311
Trisodium citrate
CID 6224
Ferric citrate
CID 61300
Potassium Citrate
CID 2735208
Tripotassium citrate
CID 13344
Citrate
CID 31348
Ferric Ammonium Citrate
CID 118984355
Manganese Citrate
CID 9937209
2-Methylcitric acid
CID 515
Tricalcium Citrate
CID 13136
Trimagnesium dicitrate
CID 6099959
Sodium Citrate Dihydrate
CID 71474

Frequently Asked Questions

What is the IUPAC name of trilithium;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of trilithium;2-hydroxypropane-1,2,3-tricarboxylate (CID 13520) is trilithium;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for trilithium;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for trilithium;2-hydroxypropane-1,2,3-tricarboxylate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is WJSIUCDMWSDDCE-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3.
What are the key properties of trilithium;2-hydroxypropane-1,2,3-tricarboxylate?
trilithium;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 209.92 g/mol, XLogP of -14.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 13520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).