Sibirate
TL;DR: Sibirate (CAS 152338-47-1) is a chemical compound with molecular formula C16H22O9 and molecular weight 358.12637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Sibirate, Glucityl ferulate, D-Glucitol 1-(4-hydroxy-3-methoxycinnamate), J2.810.799D, [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Technical Specifications
| Molecular Formula | C16H22O9 |
| Molecular Weight | 358.12637 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 358.12637 Da |
| Heavy Atoms | 25 |
| Complexity | 428.0 |
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O |
| InChIKey | DTJLOZXIIDPIFA-OUOAPTIVSA-N |
Chemical Property Profile of Sibirate
Property Insights of Sibirate
The XLogP value of -1.3 indicates that Sibirate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Sibirate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sibirate has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Sibirate?
The CAS number of Sibirate is 152338-47-1.
What is the molecular formula of Sibirate?
The molecular formula of Sibirate is C16H22O9.
What is the molecular weight of Sibirate?
The molecular weight of Sibirate is 358.12637 g/mol.
Where can I buy Sibirate?
You can request a quote for Sibirate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sibirate?
Yes, CoreyChem provides custom synthesis services for Sibirate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.