2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride

C6H8Cl3LaO7 — CID 161178023

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[Cl-].[Cl-].[Cl-].[La+3]
InChIInChI=1S/C6H8O7.3ClH.La/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);3*1H;/q;;;;+3/p-3
InChIKeyUSBNTNLCEWHOFC-UHFFFAOYSA-K
MW437.39 g/mol
LogP-10.24
Rot. Bonds5

About 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride

2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride (PubChem CID 161178023) has the molecular formula C6H8Cl3LaO7 and a molecular weight of 437.39 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride
PubChem CID161178023
Molecular FormulaC6H8Cl3LaO7
Molecular Weight437.39 g/mol
Exact Mass435.84
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[Cl-].[Cl-].[Cl-].[La+3]
InChIInChI=1S/C6H8O7.3ClH.La/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);3*1H;/q;;;;+3/p-3
InChIKeyUSBNTNLCEWHOFC-UHFFFAOYSA-K
XLogP-10.24
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 5-10.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
CID 173004565
CID 173004565
CID 24997986
CID 24997986
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87148662
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750
CID 87090686
CID 87090686

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride (CID 161178023) is 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride is O=C(O)CC(O)(CC(=O)O)C(=O)O.[Cl-].[Cl-].[Cl-].[La+3].
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride?
The InChIKey is USBNTNLCEWHOFC-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.3ClH.La/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);3*1H;/q;;;;+3/p-3.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride?
2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride has a molecular weight of 437.39 g/mol, XLogP of -10.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride is sourced from PubChem (CID 161178023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).