(6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate
TL;DR: (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate (CAS 137330-49-5) is a chemical compound with molecular formula C10H12FO10P and molecular weight 342.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5S,6S)-5-(1-carboxyethenoxy)-6-fluoro-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
Also Known As: (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate, (3R)-6beta-Fluoro-4beta-hydroxy-3beta-(phosphonooxy)-5alpha-[(1-carboxyethenyl)oxy]-1-cyclohexene-1-carboxylic acid, (3R,4S,5S,6S)-5-[(1-CARBOXYETH-1-EN-1-YL)OXY]-6-FLUORO-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, (3R,4S,5S,6S)-5-[(1-Carboxyethen-1-yl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid, (3R,4S,5S,6S)-6-fluoro-4-hydroxy-5-(3-hydroxy-3-oxoprop-1-en-2-yl)oxy-3-phosphonooxycyclohexene-1-carboxylic acid
| Molecular Formula | C10H12FO10P |
|---|---|
| Molecular Weight | 342.02 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.0152 |
| Heavy Atoms | 22 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 137330-49-5 |
|---|---|
| SMILES | C=C(C(=O)O)O[C@H]1[C@@H]([C@@H](C=C([C@@H]1F)C(=O)O)OP(=O)(O)O)O |
| InChIKey | AAIVYKPLWJPTEA-ULAWRXDQSA-N |
Product Overview
(6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate (CAS 137330-49-5), with molecular formula C10H12FO10P and molecular weight 342.02 g/mol. IUPAC: (3R,4S,5S,6S)-5-(1-carboxyethenoxy)-6-fluoro-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid.
Chemical Property Profile of (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate
Property Insights of (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate
The XLogP value of -1.9 indicates that (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate?
The CAS number of (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate is 137330-49-5.
What is the molecular formula of (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate?
The molecular formula of (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate is C10H12FO10P.
What is the molecular weight of (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate?
The molecular weight of (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate is 342.02 g/mol.
Where can I buy (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate?
You can request a quote for (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate?
Yes, KEHONG BIO provides custom synthesis services for (6S)-6-fluoro-5-enolpyruvylshikimate 3-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.