aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate

C6H5AlNaO7+ — CID 23327033

IUPACaluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Al+3].[Na+]
InChIInChI=1S/C6H8O7.Al.Na/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
InChIKeyHZBXPDNXGZYKOD-UHFFFAOYSA-K
MW239.07 g/mol
LogP-8.63
Rot. Bonds5

About aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate

aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 23327033) has the molecular formula C6H5AlNaO7+ and a molecular weight of 239.07 g/mol. Its IUPAC name is aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Namealuminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID23327033
Molecular FormulaC6H5AlNaO7+
Molecular Weight239.07 g/mol
Exact Mass238.97
IUPAC Namealuminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Al+3].[Na+]
InChIInChI=1S/C6H8O7.Al.Na/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
InChIKeyHZBXPDNXGZYKOD-UHFFFAOYSA-K
XLogP-8.63
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 5-8.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze aluminum;sodium;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

nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
sodium;carbanide;2-hydroxypropane-1,2,3-tricarboxylate
CID 23509131
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)
CID 3056942
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate
CID 159887445
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid
CID 173423039

Frequently Asked Questions

What is the IUPAC name of aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate (CID 23327033) is aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Al+3].[Na+].
What is the InChIKey of aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is HZBXPDNXGZYKOD-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.Al.Na/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 aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate?
aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 239.07 g/mol, XLogP of -8.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 23327033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).