6-O-galloyl arbutin
TL;DR: 6-O-galloyl arbutin (CAS 5991-00-4) is a chemical compound with molecular formula C19H20O11 and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: 6-O-Galloylarbutin, 6-O-Galloyl arbutin, 6 -O-Galloylarbutin, 4-Hydroxyphenyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside, beta-D-Glucopyranoside, 4-hydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)
| Molecular Formula | C19H20O11 |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | -0.4476 |
| Topological Polar Surface Area | 186.37 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.10056 |
| Heavy Atoms | 30 |
| Complexity | 874.8488 |
Chemical Identifiers
| CAS Number | 5991-00-4 |
|---|---|
| SMILES | C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O |
Product Overview
6-O-galloyl arbutin (CAS 5991-00-4), with molecular formula C19H20O11 and molecular weight 424.10 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 6-O-galloyl arbutin
Property Insights of 6-O-galloyl arbutin
The XLogP value of -0.4476 indicates that 6-O-galloyl arbutin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.37 Ų indicates high polarity, suggesting 6-O-galloyl arbutin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-galloyl arbutin has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-O-galloyl arbutin?
The CAS number of 6-O-galloyl arbutin is 5991-00-4.
What is the molecular formula of 6-O-galloyl arbutin?
The molecular formula of 6-O-galloyl arbutin is C19H20O11.
What is the molecular weight of 6-O-galloyl arbutin?
The molecular weight of 6-O-galloyl arbutin is 424.10 g/mol.
Where can I buy 6-O-galloyl arbutin?
You can request a quote for 6-O-galloyl arbutin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-galloyl arbutin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-galloyl arbutin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.