1-Caffeoyl-beta-D-glucose
TL;DR: 1-Caffeoyl-beta-D-glucose (CAS 13080-40-5) is a chemical compound with molecular formula C15H18O9 and molecular weight 342.0951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: 1-Caffeoyl-beta-D-glucose, Caffeoyl glucoside, caffeoyl hexoside, 1-o-caffeoylglucose, caffeoylglucoside I
Technical Specifications
| Molecular Formula | C15H18O9 |
| Molecular Weight | 342.0951 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.0951 Da |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O |
| InChIKey | WQSDYZZEIBAPIN-VBQORRLJSA-N |
Chemical Property Profile of 1-Caffeoyl-beta-D-glucose
Property Insights of 1-Caffeoyl-beta-D-glucose
The XLogP value of -0.6 indicates that 1-Caffeoyl-beta-D-glucose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting 1-Caffeoyl-beta-D-glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Caffeoyl-beta-D-glucose 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 1-Caffeoyl-beta-D-glucose?
The CAS number of 1-Caffeoyl-beta-D-glucose is 13080-40-5.
What is the molecular formula of 1-Caffeoyl-beta-D-glucose?
The molecular formula of 1-Caffeoyl-beta-D-glucose is C15H18O9.
What is the molecular weight of 1-Caffeoyl-beta-D-glucose?
The molecular weight of 1-Caffeoyl-beta-D-glucose is 342.0951 g/mol.
Where can I buy 1-Caffeoyl-beta-D-glucose?
You can request a quote for 1-Caffeoyl-beta-D-glucose directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Caffeoyl-beta-D-glucose?
Yes, CoreyChem provides custom synthesis services for 1-Caffeoyl-beta-D-glucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.