Ellagic Acid 4-O-Xylopyranoside
TL;DR: Ellagic Acid 4-O-Xylopyranoside (CAS 139163-18-1) is a chemical compound with molecular formula C19H14O12 and molecular weight 434.04852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7,14-trihydroxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Also Known As: Ellagic acid 4-O-xylopyranoside, EABXP, ellagic acid pentoside, ellagic acid-pentoside, Ellagic acid-4-O-beta-D-xylopyranoside
Technical Specifications
| Molecular Formula | C19H14O12 |
| Molecular Weight | 434.04852 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 434.04852 Da |
| Heavy Atoms | 31 |
| Complexity | 745.0 |
| SMILES | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)O)O)O |
| InChIKey | KNURQRIPZJJYQO-PJIMMEPBSA-N |
Chemical Property Profile of Ellagic Acid 4-O-Xylopyranoside
Property Insights of Ellagic Acid 4-O-Xylopyranoside
The XLogP value of -0.6 indicates that Ellagic Acid 4-O-Xylopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.0 Ų indicates high polarity, suggesting Ellagic Acid 4-O-Xylopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ellagic Acid 4-O-Xylopyranoside has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ellagic Acid 4-O-Xylopyranoside?
The CAS number of Ellagic Acid 4-O-Xylopyranoside is 139163-18-1.
What is the molecular formula of Ellagic Acid 4-O-Xylopyranoside?
The molecular formula of Ellagic Acid 4-O-Xylopyranoside is C19H14O12.
What is the molecular weight of Ellagic Acid 4-O-Xylopyranoside?
The molecular weight of Ellagic Acid 4-O-Xylopyranoside is 434.04852 g/mol.
Where can I buy Ellagic Acid 4-O-Xylopyranoside?
You can request a quote for Ellagic Acid 4-O-Xylopyranoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ellagic Acid 4-O-Xylopyranoside?
Yes, CoreyChem provides custom synthesis services for Ellagic Acid 4-O-Xylopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.