Emodin-1-O-alpha-L-rhamnoside
TL;DR: Emodin-1-O-alpha-L-rhamnoside (CAS 71973-18-7) is a chemical compound with molecular formula C21H20O9 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dihydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione
Also Known As: Emodin-1-O-alpha-L-rhamnoside, 9,10-Anthracenedione, 1-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,8-dihydroxy-6-methyl-, Glucofuranose, 3-O-butyl-1:2,5:6-di-O-isopropylidene-, alpha-D-, 3,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl 6-deoxyhexopyranoside, 1,6-dihydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione
| Molecular Formula | C21H20O9 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.11072 |
| Heavy Atoms | 30 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 71973-18-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=CC3=C2C(=O)C4=C(C3=O)C=C(C=C4O)C)O)O)O)O |
| InChIKey | OPDNGPILBYTWIA-FUCRAMRQSA-N |
Product Overview
Emodin-1-O-alpha-L-rhamnoside (CAS 71973-18-7), with molecular formula C21H20O9 and molecular weight 416.11 g/mol. IUPAC: 1,6-dihydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione.
Chemical Property Profile of Emodin-1-O-alpha-L-rhamnoside
Property Insights of Emodin-1-O-alpha-L-rhamnoside
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emodin-1-O-alpha-L-rhamnoside. The TPSA of 154.0 Ų indicates high polarity, suggesting Emodin-1-O-alpha-L-rhamnoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emodin-1-O-alpha-L-rhamnoside has 5 hydrogen bond donor(s) and 9 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 Emodin-1-O-alpha-L-rhamnoside?
The CAS number of Emodin-1-O-alpha-L-rhamnoside is 71973-18-7.
What is the molecular formula of Emodin-1-O-alpha-L-rhamnoside?
The molecular formula of Emodin-1-O-alpha-L-rhamnoside is C21H20O9.
What is the molecular weight of Emodin-1-O-alpha-L-rhamnoside?
The molecular weight of Emodin-1-O-alpha-L-rhamnoside is 416.11 g/mol.
Where can I buy Emodin-1-O-alpha-L-rhamnoside?
You can request a quote for Emodin-1-O-alpha-L-rhamnoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emodin-1-O-alpha-L-rhamnoside?
Yes, KEHONG BIO provides custom synthesis services for Emodin-1-O-alpha-L-rhamnoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.