dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))

C6H8Al2O10 — CID 161103726

IUPACdialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[Al+3].[Al+3].[O-2].[O-2].[O-2]
InChIInChI=1S/C6H8O7.2Al.3O/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;2*+3;3*-2
InChIKeyUITULIMOLIQGTK-UHFFFAOYSA-N
MW294.08 g/mol
LogP-2.37
Rot. Bonds5

About dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))

dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-)) (PubChem CID 161103726) has the molecular formula C6H8Al2O10 and a molecular weight of 294.08 g/mol. Its IUPAC name is dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-)).

Molecular Properties

Compound Namedialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))
PubChem CID161103726
Molecular FormulaC6H8Al2O10
Molecular Weight294.08 g/mol
Exact Mass293.97
IUPAC Namedialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[Al+3].[Al+3].[O-2].[O-2].[O-2]
InChIInChI=1S/C6H8O7.2Al.3O/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;2*+3;3*-2
InChIKeyUITULIMOLIQGTK-UHFFFAOYSA-N
XLogP-2.37
TPSA217.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.08
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 159654309
zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)
CID 155051192
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
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
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 dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))?
The IUPAC name of dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-)) (CID 161103726) is dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-)).
What is the SMILES notation for dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))?
The canonical SMILES for dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-)) is O=C(O)CC(O)(CC(=O)O)C(=O)O.[Al+3].[Al+3].[O-2].[O-2].[O-2].
What is the InChIKey of dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))?
The InChIKey is UITULIMOLIQGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.2Al.3O/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;2*+3;3*-2.
What are the key properties of dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))?
dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-)) has a molecular weight of 294.08 g/mol, XLogP of -2.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-)) is sourced from PubChem (CID 161103726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).