Salicin, 6'-acetate
TL;DR: Salicin, 6'-acetate (CAS 19764-02-4) is a chemical compound with molecular formula C15H20O8 and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate
Also Known As: Fragilin, Salicin, 6'-acetate, Salicin 6'-acetate, 2-(Hydroxymethyl)phenyl 6-O-acetylhexopyranoside, [(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate
| Molecular Formula | C15H20O8 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | -1.0716 |
| Topological Polar Surface Area | 125.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.1158 |
| Heavy Atoms | 23 |
| Complexity | 533.9631 |
Chemical Identifiers
| CAS Number | 19764-02-4 |
|---|---|
| SMILES | CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OC2=CC=CC=C2CO)O)O)O |
Product Overview
Salicin, 6'-acetate (CAS 19764-02-4), with molecular formula C15H20O8 and molecular weight 328.12 g/mol. IUPAC: [(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of Salicin, 6'-acetate
Property Insights of Salicin, 6'-acetate
The XLogP value of -1.0716 indicates that Salicin, 6'-acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicin, 6'-acetate. Following Lipinski's Rule of Five, Salicin, 6'-acetate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Salicin, 6'-acetate?
The CAS number of Salicin, 6'-acetate is 19764-02-4.
What is the molecular formula of Salicin, 6'-acetate?
The molecular formula of Salicin, 6'-acetate is C15H20O8.
What is the molecular weight of Salicin, 6'-acetate?
The molecular weight of Salicin, 6'-acetate is 328.12 g/mol.
Where can I buy Salicin, 6'-acetate?
You can request a quote for Salicin, 6'-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicin, 6'-acetate?
Yes, KEHONG BIO provides custom synthesis services for Salicin, 6'-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.