7-Hydroxydigitoxin
TL;DR: 7-Hydroxydigitoxin (CAS 18810-27-0) is a chemical compound with molecular formula C41H64O14 and molecular weight 780.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,7S,8S,9S,10S,13R,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-6-methyloxan-2-yl]oxy-7,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: 7-Hydroxydigitoxin, Convalpur, 7beta-Hydroxydigitoxin, 7 beta-hydroxydigitoxin, 3-[(3S,5R,7S,8S,9S,10S,13R,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-6-methyloxan-2-yl]oxy-7,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C41H64O14 |
|---|---|
| Molecular Weight | 780.43 g/mol |
| LogP | 2.2181 |
| Topological Polar Surface Area | 203.06 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 780.4296 |
| Heavy Atoms | 55 |
| Complexity | 1421.0038 |
Chemical Identifiers
| CAS Number | 18810-27-0 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@H](O[C@@H]([C@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)O)O)C)O[C@H]4CC[C@@]5([C@H]6CC[C@@]7([C@H](CCC7([C@@H]6[C@H](C[C@@H]5C4)O)O)C8=CC(=O)OC8)C)C)O)O |
Product Overview
7-Hydroxydigitoxin (CAS 18810-27-0), with molecular formula C41H64O14 and molecular weight 780.43 g/mol. IUPAC: 3-[(3S,5R,7S,8S,9S,10S,13R,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-6-methyloxan-2-yl]oxy-7,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 7-Hydroxydigitoxin
Property Insights of 7-Hydroxydigitoxin
The XLogP value of 2.2181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxydigitoxin. The TPSA of 203.06 Ų indicates high polarity, suggesting 7-Hydroxydigitoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Hydroxydigitoxin has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Hydroxydigitoxin?
The CAS number of 7-Hydroxydigitoxin is 18810-27-0.
What is the molecular formula of 7-Hydroxydigitoxin?
The molecular formula of 7-Hydroxydigitoxin is C41H64O14.
What is the molecular weight of 7-Hydroxydigitoxin?
The molecular weight of 7-Hydroxydigitoxin is 780.43 g/mol.
Where can I buy 7-Hydroxydigitoxin?
You can request a quote for 7-Hydroxydigitoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxydigitoxin?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxydigitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.