Trisodium 2-phosphonatoacrylate
TL;DR: Trisodium 2-phosphonatoacrylate (CAS 5541-93-5) is a chemical compound with molecular formula C3H2Na3O6P and molecular weight 233.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-phosphonatooxyprop-2-enoate
Also Known As: trisodium phosphoenolpyruvate, 2-Phosphoenol pyruvate na3salt, Trisodium 2-phosphonatoacrylate, trisodiumphosphoenolpyruvate, PEP.3Na.7H2O
| Molecular Formula | C3H2Na3O6P |
|---|---|
| Molecular Weight | 233.93 g/mol |
| LogP | -11.89 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.9282 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 5541-93-5 |
|---|---|
| SMILES | C=C(C(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+] |
| InChIKey | RJUFBDMHZGRGMA-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trisodium 2-phosphonatoacrylate (CAS 5541-93-5), with molecular formula C3H2Na3O6P and molecular weight 233.93 g/mol. IUPAC: trisodium;2-phosphonatooxyprop-2-enoate.
Chemical Property Profile of Trisodium 2-phosphonatoacrylate
Property Insights of Trisodium 2-phosphonatoacrylate
The XLogP value of -11.89 indicates that Trisodium 2-phosphonatoacrylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trisodium 2-phosphonatoacrylate. Following Lipinski's Rule of Five, Trisodium 2-phosphonatoacrylate has 0 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 Trisodium 2-phosphonatoacrylate?
The CAS number of Trisodium 2-phosphonatoacrylate is 5541-93-5.
What is the molecular formula of Trisodium 2-phosphonatoacrylate?
The molecular formula of Trisodium 2-phosphonatoacrylate is C3H2Na3O6P.
What is the molecular weight of Trisodium 2-phosphonatoacrylate?
The molecular weight of Trisodium 2-phosphonatoacrylate is 233.93 g/mol.
Where can I buy Trisodium 2-phosphonatoacrylate?
You can request a quote for Trisodium 2-phosphonatoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trisodium 2-phosphonatoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Trisodium 2-phosphonatoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.