Digoxin-phosphatidylethanolamine conjugate
TL;DR: Digoxin-phosphatidylethanolamine conjugate (CAS 129966-52-5) is a chemical compound with molecular formula C82H140N3O25P and molecular weight 1597.9513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-2-[(3E)-3-[2-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-2-oxoethoxy]imino-1-[6-[4,5-dihydroxy-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-4-hydroxy-2-methyloxan-3-yl]oxypropoxy]propylideneamino]oxyacetic acid
Also Known As: Digoxin-dppe conjugate, Digoxin-phosphatidylethanolamine conjugate, 2-[(E)-2-[(3E)-3-[2-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-2-oxoethoxy]imino-1-[6-[4,5-dihydroxy-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-4-hydroxy-2-methyloxan-3-yl]oxypropoxy]propylideneamino]oxyacetic acid, 2-[2-[(3e)-3-[2-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-2-oxoethoxy]imino-1-[6-[4,5-dihydroxy-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-4-hydroxy-2-methyloxan-3-yl]oxypropoxy]propylideneamino]oxyacetic acid
Technical Specifications
| Molecular Formula | C82H140N3O25P |
| Molecular Weight | 1597.9513 g/mol |
| XLogP | 14.7 |
| Topological Polar Surface Area (TPSA) | 381.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 58 |
| Exact Mass | 1597.9513 Da |
| Heavy Atoms | 111 |
| Complexity | 2890.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CO/N=C/CC(OC1C(OC(CC1O)OC2C(OC(C(C2O)O)OC3CCC4(C(C3)CCC5C4CCC6(C5(CCC6C7=CC(=O)OC7)O)C)C)C)C)OC(C)/C=N/OCC(=O)O)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | RMZOQEGPACTFRL-QLBADTJSSA-N |
Chemical Property Profile of Digoxin-phosphatidylethanolamine conjugate
Property Insights of Digoxin-phosphatidylethanolamine conjugate
The XLogP value of 14.7 indicates that Digoxin-phosphatidylethanolamine conjugate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 381.0 Ų indicates high polarity, suggesting Digoxin-phosphatidylethanolamine conjugate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digoxin-phosphatidylethanolamine conjugate has 7 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Digoxin-phosphatidylethanolamine conjugate?
The CAS number of Digoxin-phosphatidylethanolamine conjugate is 129966-52-5.
What is the molecular formula of Digoxin-phosphatidylethanolamine conjugate?
The molecular formula of Digoxin-phosphatidylethanolamine conjugate is C82H140N3O25P.
What is the molecular weight of Digoxin-phosphatidylethanolamine conjugate?
The molecular weight of Digoxin-phosphatidylethanolamine conjugate is 1597.9513 g/mol.
Where can I buy Digoxin-phosphatidylethanolamine conjugate?
You can request a quote for Digoxin-phosphatidylethanolamine conjugate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Digoxin-phosphatidylethanolamine conjugate?
Yes, CoreyChem provides custom synthesis services for Digoxin-phosphatidylethanolamine conjugate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.