Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside
TL;DR: Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside (CAS 266997-57-3) is a chemical compound with molecular formula C28H24O13 and molecular weight 568.12 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-(8-hydroxy-6-methyl-9,10-dioxoanthracen-1-yl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside, chrysophanol-8-O-(6'-O-galloyl)-glucoside, J1.237.410K, Chrysophanol 8-(6-O-galloyl-beta-D-glucopyranoside), Chrysophanol 8-O-
| Molecular Formula | C28H24O13 |
|---|---|
| Molecular Weight | 568.12 g/mol |
| LogP | 0.63622 |
| Topological Polar Surface Area | 220.51 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 568.1217 |
| Heavy Atoms | 41 |
| Complexity | 1556.3864 |
Chemical Identifiers
| CAS Number | 266997-57-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O |
Product Overview
Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside (CAS 266997-57-3), with molecular formula C28H24O13 and molecular weight 568.12 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-6-methyl-9,10-dioxoanthracen-1-yl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside
Property Insights of Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside
The XLogP value of 0.63622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside. The TPSA of 220.51 Ų indicates high polarity, suggesting Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside?
The CAS number of Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside is 266997-57-3.
What is the molecular formula of Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside?
The molecular formula of Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside is C28H24O13.
What is the molecular weight of Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside?
The molecular weight of Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside is 568.12 g/mol.
Where can I buy Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside?
You can request a quote for Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.