Ethoxycarbonyldigoxin
TL;DR: Ethoxycarbonyldigoxin (CAS 73987-52-7) is a chemical compound with molecular formula C44H68O16 and molecular weight 852.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,8R,9S,10S,12R,13S,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-12-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-yl] ethyl carbonate
Also Known As: Ethoxycarbonyldigoxin, Carbaethoxydigoxin, Carbaethoxydigoxin [German], Digoxin, ethoxycarbonyl-, [(3S,5R,8R,9S,10S,12R,13S,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-12-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-yl] ethyl carbonate
| Molecular Formula | C44H68O16 |
|---|---|
| Molecular Weight | 852.45 g/mol |
| LogP | 3.3989 |
| Topological Polar Surface Area | 218.36 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 852.45074 |
| Heavy Atoms | 60 |
| Complexity | 1570.0974 |
Chemical Identifiers
| CAS Number | 73987-52-7 |
|---|---|
| SMILES | CCOC(=O)OC12CC[C@@H]([C@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O[C@@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@@H]([C@@H]([C@H](O6)C)O)O)O[C@@H]7C[C@@H]([C@@H]([C@H](O7)C)O)O)C)O)C)C8=CC(=O)OC8 |
Product Overview
Ethoxycarbonyldigoxin (CAS 73987-52-7), with molecular formula C44H68O16 and molecular weight 852.45 g/mol. IUPAC: [(3S,5R,8R,9S,10S,12R,13S,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-12-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-yl] ethyl carbonate.
Chemical Property Profile of Ethoxycarbonyldigoxin
Property Insights of Ethoxycarbonyldigoxin
The XLogP value of 3.3989 indicates that Ethoxycarbonyldigoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 218.36 Ų indicates high polarity, suggesting Ethoxycarbonyldigoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethoxycarbonyldigoxin has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethoxycarbonyldigoxin?
The CAS number of Ethoxycarbonyldigoxin is 73987-52-7.
What is the molecular formula of Ethoxycarbonyldigoxin?
The molecular formula of Ethoxycarbonyldigoxin is C44H68O16.
What is the molecular weight of Ethoxycarbonyldigoxin?
The molecular weight of Ethoxycarbonyldigoxin is 852.45 g/mol.
Where can I buy Ethoxycarbonyldigoxin?
You can request a quote for Ethoxycarbonyldigoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxycarbonyldigoxin?
Yes, KEHONG BIO provides custom synthesis services for Ethoxycarbonyldigoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.