acetyldigitoxin
TL;DR: acetyldigitoxin (CAS 1111-39-3) is a chemical compound with molecular formula C43H66O14 and molecular weight 806.44525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[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-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
Also Known As: acetyldigitoxin, Digitoxin monoacetate, [3-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[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-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetr, [3-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[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-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
Technical Specifications
| Molecular Formula | C43H66O14 |
| Molecular Weight | 806.44525 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 806.44525 Da |
| Heavy Atoms | 57 |
| Complexity | 1520.0 |
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O |
| InChIKey | HPMZBILYSWLILX-UHFFFAOYSA-N |
Chemical Property Profile of acetyldigitoxin
Property Insights of acetyldigitoxin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for acetyldigitoxin. The TPSA of 189.0 Ų indicates high polarity, suggesting acetyldigitoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, acetyldigitoxin has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of acetyldigitoxin?
The CAS number of acetyldigitoxin is 1111-39-3.
What is the molecular formula of acetyldigitoxin?
The molecular formula of acetyldigitoxin is C43H66O14.
What is the molecular weight of acetyldigitoxin?
The molecular weight of acetyldigitoxin is 806.44525 g/mol.
Where can I buy acetyldigitoxin?
You can request a quote for acetyldigitoxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for acetyldigitoxin?
Yes, CoreyChem provides custom synthesis services for acetyldigitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.