铃兰毒苷
TL;DR: 铃兰毒苷 (CAS 508-75-8) is a chemical compound with molecular formula C29H42O10 and molecular weight 550.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
铃兰毒苷
5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Convallatoxin, Convallaotoxin, Desglucocheirotoxin, Convallotoxin, Convallaton
| Molecular Formula | C29H42O10 |
|---|---|
| Molecular Weight | 550.28 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 550.2778 |
| Heavy Atoms | 39 |
| Complexity | 1050.0 |
| Melting Point | 188 - 189 °C |
Chemical Identifiers
| CAS Number | 508-75-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O |
| InChIKey | HULMNSIAKWANQO-UHFFFAOYSA-N |
Product Overview
铃兰毒苷 (CAS 508-75-8), with molecular formula C29H42O10 and molecular weight 550.28 g/mol. IUPAC: 5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 铃兰毒苷
Property Insights of 铃兰毒苷
The XLogP value of -0.7 indicates that 铃兰毒苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 铃兰毒苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 铃兰毒苷 has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 铃兰毒苷?
The CAS number of 铃兰毒苷 is 508-75-8.
What is the molecular formula of 铃兰毒苷?
The molecular formula of 铃兰毒苷 is C29H42O10.
What is the molecular weight of 铃兰毒苷?
The molecular weight of 铃兰毒苷 is 550.28 g/mol.
Where can I buy 铃兰毒苷?
You can request a quote for 铃兰毒苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 铃兰毒苷?
Yes, KEHONG BIO provides custom synthesis services for 铃兰毒苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.