trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate

C7H5Na3O9 — CID 160746218

IUPACtrisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C=O.[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.CO2.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;2-1-3;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;3*+1/p-3
InChIKeyRWFLXORFWUVFKY-UHFFFAOYSA-K
MW302.08 g/mol
LogP-14.82
Rot. Bonds5

About trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate

trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 160746218) has the molecular formula C7H5Na3O9 and a molecular weight of 302.08 g/mol. Its IUPAC name is trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametrisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID160746218
Molecular FormulaC7H5Na3O9
Molecular Weight302.08 g/mol
Exact Mass301.96
IUPAC Nametrisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C=O.[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.CO2.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;2-1-3;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;3*+1/p-3
InChIKeyRWFLXORFWUVFKY-UHFFFAOYSA-K
XLogP-14.82
TPSA174.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 5-14.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze trisodium;carbon dioxide;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
aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 23327033
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
sodium;carbanide;2-hydroxypropane-1,2,3-tricarboxylate
CID 23509131
sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)
CID 3056942
trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate
CID 159887445
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679

Frequently Asked Questions

What is the IUPAC name of trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate (CID 160746218) is trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C=O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is RWFLXORFWUVFKY-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.CO2.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;2-1-3;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;3*+1/p-3.
What are the key properties of trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate?
trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 302.08 g/mol, XLogP of -14.82, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;carbon dioxide;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 160746218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).