Shikimic acid-3-phosphate
TL;DR: Shikimic acid-3-phosphate (CAS 63959-45-5) is a chemical compound with molecular formula C7H11O8P and molecular weight 254.01915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dihydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
Also Known As: shikimate-3-phosphate, shikimic acid-3-phosphate, 3-phosphoshikimic acid, 3,3-bis(difluoroamino)butan-1-ol, Shikimate-3-phosphate trisodium salt
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H11O8P |
| Molecular Weight | 254.01915 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.01915 Da |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
| SMILES | C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O |
| InChIKey | QYOJSKGCWNAKGW-UHFFFAOYSA-N |
Chemical Property Profile of Shikimic acid-3-phosphate
Property Insights of Shikimic acid-3-phosphate
The XLogP value of -2.8 indicates that Shikimic acid-3-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting Shikimic acid-3-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Shikimic acid-3-phosphate has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Shikimic acid-3-phosphate?
The CAS number of Shikimic acid-3-phosphate is 63959-45-5.
What is the molecular formula of Shikimic acid-3-phosphate?
The molecular formula of Shikimic acid-3-phosphate is C7H11O8P.
What is the molecular weight of Shikimic acid-3-phosphate?
The molecular weight of Shikimic acid-3-phosphate is 254.01915 g/mol.
Where can I buy Shikimic acid-3-phosphate?
You can request a quote for Shikimic acid-3-phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Shikimic acid-3-phosphate?
Yes, CoreyChem provides custom synthesis services for Shikimic acid-3-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.