3-Phosphonopyruvate
TL;DR: 3-Phosphonopyruvate (CAS 5824-58-8) is a chemical compound with molecular formula C3H5O6P and molecular weight 167.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3-phosphonopropanoic acid
Also Known As: PHOSPHONOPYRUVATE, 2-oxo-3-phosphonopropanoic acid, 3-Phosphonopyruvate, 3-Phosphono Pyruvic Acid, Phosphonopyruvic acid
| Molecular Formula | C3H5O6P |
|---|---|
| Molecular Weight | 167.98 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.98238 |
| Heavy Atoms | 10 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 5824-58-8 |
|---|---|
| SMILES | C(C(=O)C(=O)O)P(=O)(O)O |
| InChIKey | CHDDAVCOAOFSLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phosphonopyruvate (CAS 5824-58-8), with molecular formula C3H5O6P and molecular weight 167.98 g/mol. IUPAC: 2-oxo-3-phosphonopropanoic acid.
Chemical Property Profile of 3-Phosphonopyruvate
Property Insights of 3-Phosphonopyruvate
The XLogP value of -2.1 indicates that 3-Phosphonopyruvate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phosphonopyruvate. Following Lipinski's Rule of Five, 3-Phosphonopyruvate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phosphonopyruvate?
The CAS number of 3-Phosphonopyruvate is 5824-58-8.
What is the molecular formula of 3-Phosphonopyruvate?
The molecular formula of 3-Phosphonopyruvate is C3H5O6P.
What is the molecular weight of 3-Phosphonopyruvate?
The molecular weight of 3-Phosphonopyruvate is 167.98 g/mol.
Where can I buy 3-Phosphonopyruvate?
You can request a quote for 3-Phosphonopyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phosphonopyruvate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phosphonopyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.