About sodium;propanoate;propanoic acid
sodium;propanoate;propanoic acid (PubChem CID 173429425) has the molecular formula C207H413NaO138
and a molecular weight of 5133.43 g/mol. Its IUPAC name is sodium;propanoate;propanoic acid.
Molecular Properties
| Compound Name | sodium;propanoate;propanoic acid |
|---|
| PubChem CID | 173429425 |
|---|
| Molecular Formula | C207H413NaO138 |
|---|
| Molecular Weight | 5133.43 g/mol |
|---|
| Exact Mass | 5130.52 |
|---|
| IUPAC Name | sodium;propanoate;propanoic acid |
|---|
| SMILES | CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)[O-].[Na+] |
|---|
| InChI | InChI=1S/69C3H6O2.Na/c69*1-2-3(4)5;/h69*2H2,1H3,(H,4,5);/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1 |
|---|
| InChIKey | QXVYKWLGXIBJNT-UHFFFAOYSA-M |
|---|
| XLogP | 28.86 |
|---|
| TPSA | 2576.53 Ų |
|---|
| H-Bond Donors | 68 |
|---|
| H-Bond Acceptors | 70 |
|---|
| Rotatable Bonds | 69 |
|---|
| Heavy Atoms | 346 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|
| MW ≤ 500 | 5133.43 |
| LogP ≤ 5 | 28.86 |
| H-Bond Donors ≤ 5 | 68 |
| H-Bond Acceptors ≤ 10 | 70 |
Analyze sodium;propanoate;propanoic acid with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of sodium;propanoate;propanoic acid?
The IUPAC name of sodium;propanoate;propanoic acid (CID 173429425) is sodium;propanoate;propanoic acid.
What is the SMILES notation for sodium;propanoate;propanoic acid?
The canonical SMILES for sodium;propanoate;propanoic acid is CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)[O-].[Na+].
What is the InChIKey of sodium;propanoate;propanoic acid?
The InChIKey is QXVYKWLGXIBJNT-UHFFFAOYSA-M. The full InChI is InChI=1S/69C3H6O2.Na/c69*1-2-3(4)5;/h69*2H2,1H3,(H,4,5);/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1.
What are the key properties of sodium;propanoate;propanoic acid?
sodium;propanoate;propanoic acid has a molecular weight of 5133.43 g/mol, XLogP of 28.86, 69 rotatable bonds, 68 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;propanoate;propanoic acid is sourced from PubChem (CID 173429425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).