5-烯醇丙酮酰莽草酸-3-磷酸
TL;DR: 5-烯醇丙酮酰莽草酸-3-磷酸 (CAS 27840-48-8) 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.
5-烯醇丙酮酰莽草酸-3-磷酸
5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
Also Known As: 5-Epsp, EPSP, 5-Enolpyruvoylshikimate-3-phosphate, 5-Enolpyruvylshikimate 3-phosphate, 5-Enolpyruvoylshikimic acid 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 | 27840-48-8 |
|---|---|
| SMILES | C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O |
| InChIKey | QUTYKIXIUDQOLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-烯醇丙酮酰莽草酸-3-磷酸 (CAS 27840-48-8), with molecular formula C10H13O10P and molecular weight 324.02 g/mol. IUPAC: 5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid.
Chemical Property Profile of 5-烯醇丙酮酰莽草酸-3-磷酸
Property Insights of 5-烯醇丙酮酰莽草酸-3-磷酸
The XLogP value of -1.8 indicates that 5-烯醇丙酮酰莽草酸-3-磷酸 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-烯醇丙酮酰莽草酸-3-磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-烯醇丙酮酰莽草酸-3-磷酸 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-烯醇丙酮酰莽草酸-3-磷酸?
The CAS number of 5-烯醇丙酮酰莽草酸-3-磷酸 is 27840-48-8.
What is the molecular formula of 5-烯醇丙酮酰莽草酸-3-磷酸?
The molecular formula of 5-烯醇丙酮酰莽草酸-3-磷酸 is C10H13O10P.
What is the molecular weight of 5-烯醇丙酮酰莽草酸-3-磷酸?
The molecular weight of 5-烯醇丙酮酰莽草酸-3-磷酸 is 324.02 g/mol.
Where can I buy 5-烯醇丙酮酰莽草酸-3-磷酸?
You can request a quote for 5-烯醇丙酮酰莽草酸-3-磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-烯醇丙酮酰莽草酸-3-磷酸?
Yes, KEHONG BIO provides custom synthesis services for 5-烯醇丙酮酰莽草酸-3-磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.