5-O-(1-carboxyvinyl)-3-phosphoshikimic acid
TL;DR: 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid (CAS 89771-75-5) is a chemical compound with molecular formula C10H13O10P and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5R)-5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
Also Known As: EPSP, 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid, O5-(1-Carboxyvinyl)-3-phosphoshikimate, 5-O-(1-carboxyvinyl)-3-phosphoshikimate, 5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE
| Molecular Formula | C10H13O10P |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.02463 |
| Heavy Atoms | 21 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 89771-75-5 |
|---|---|
| SMILES | C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O |
| InChIKey | QUTYKIXIUDQOLK-PRJMDXOYSA-N |
Product Overview
5-O-(1-carboxyvinyl)-3-phosphoshikimic acid (CAS 89771-75-5), with molecular formula C10H13O10P and molecular weight 324.02 g/mol. IUPAC: (3R,4S,5R)-5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid.
Chemical Property Profile of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid
Property Insights of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid
The XLogP value of -1.8 indicates that 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid has 5 hydrogen bond donor(s) and 10 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 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid?
The CAS number of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid is 89771-75-5.
What is the molecular formula of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid?
The molecular formula of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid is C10H13O10P.
What is the molecular weight of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid?
The molecular weight of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid is 324.02 g/mol.
Where can I buy 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid?
You can request a quote for 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.