Digoxin, pentaformate
TL;DR: Digoxin, pentaformate (CAS 13241-43-5) is a chemical compound with molecular formula C46H64O19 and molecular weight 920.4042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S,6R)-3-[(2S,4S,5S,6R)-5-[(2S,4S,5R,6R)-4,5-diformyloxy-6-methyloxan-2-yl]oxy-6-formyloxy-4-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12-formyloxy-14-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-3-yl]oxy]-2-methyloxan-4-yl] formate
Also Known As: Pentaformyl-digoxin, Digoxin, pentaformate, [(2R,3R,4S,6R)-3-[(2S,4S,5S,6R)-5-[(2S,4S,5R,6R)-4,5-diformyloxy-6-methyloxan-2-yl]oxy-6-formyloxy-4-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12-formyloxy-14-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-3-yl]oxy]-2-methyloxan-4-yl] formate
Technical Specifications
| Molecular Formula | C46H64O19 |
| Molecular Weight | 920.4042 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 233.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 17 |
| Exact Mass | 920.4042 Da |
| Heavy Atoms | 65 |
| Complexity | 1780.0 |
| SMILES | C[C@H]1C[C@H](O[C@@H]([C@H]1O[C@H]2C[C@@H]([C@@H]([C@H](O2)C)OC=O)OC=O)OC=O)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC=O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)OC=O)C)C |
| InChIKey | XXQKBYWZPGTSQA-DHHAOGPWSA-N |
Chemical Property Profile of Digoxin, pentaformate
Property Insights of Digoxin, pentaformate
The XLogP value of 4.5 indicates that Digoxin, pentaformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 233.0 Ų indicates high polarity, suggesting Digoxin, pentaformate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digoxin, pentaformate has 1 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Digoxin, pentaformate?
The CAS number of Digoxin, pentaformate is 13241-43-5.
What is the molecular formula of Digoxin, pentaformate?
The molecular formula of Digoxin, pentaformate is C46H64O19.
What is the molecular weight of Digoxin, pentaformate?
The molecular weight of Digoxin, pentaformate is 920.4042 g/mol.
Where can I buy Digoxin, pentaformate?
You can request a quote for Digoxin, pentaformate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Digoxin, pentaformate?
Yes, CoreyChem provides custom synthesis services for Digoxin, pentaformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.