桃叶珊瑚苷
TL;DR: 桃叶珊瑚苷 (CAS 479-98-1) is a chemical compound with molecular formula C15H22O9 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
桃叶珊瑚苷
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Aucubin, rhinanthin, Aucuboside, aucubuside, Rhimanthin
| Molecular Formula | C15H22O9 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.12637 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 479-98-1 |
|---|---|
| SMILES | C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | RJWJHRPNHPHBRN-FKVJWERZSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
桃叶珊瑚苷 (CAS 479-98-1), with molecular formula C15H22O9 and molecular weight 346.13 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 桃叶珊瑚苷
Property Insights of 桃叶珊瑚苷
The XLogP value of -3.0 indicates that 桃叶珊瑚苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 桃叶珊瑚苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 桃叶珊瑚苷 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 桃叶珊瑚苷?
The CAS number of 桃叶珊瑚苷 is 479-98-1.
What is the molecular formula of 桃叶珊瑚苷?
The molecular formula of 桃叶珊瑚苷 is C15H22O9.
What is the molecular weight of 桃叶珊瑚苷?
The molecular weight of 桃叶珊瑚苷 is 346.13 g/mol.
Where can I buy 桃叶珊瑚苷?
You can request a quote for 桃叶珊瑚苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 桃叶珊瑚苷?
Yes, KEHONG BIO provides custom synthesis services for 桃叶珊瑚苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.