Digoxigenin bisdigitoxoside
TL;DR: Digoxigenin bisdigitoxoside (CAS 5297-05-2) is a chemical compound with molecular formula C35H54O11 and molecular weight 650.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-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: Digoxigenin bisdigitoxoside, Bisdigoxigenin, digoxigenin-bis, Dbis, Digoxin EP Impurity F
| Molecular Formula | C35H54O11 |
|---|---|
| Molecular Weight | 650.37 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 650.36664 |
| Heavy Atoms | 46 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 5297-05-2 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]5[C@@H]4C[C@H]([C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)C)C)O)O |
| InChIKey | NTSBMKIZRSBFTA-AIDOXSFESA-N |
Product Overview
Digoxigenin bisdigitoxoside (CAS 5297-05-2), with molecular formula C35H54O11 and molecular weight 650.37 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-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 Digoxigenin bisdigitoxoside
Property Insights of Digoxigenin bisdigitoxoside
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digoxigenin bisdigitoxoside. The TPSA of 164.0 Ų indicates high polarity, suggesting Digoxigenin bisdigitoxoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digoxigenin bisdigitoxoside has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digoxigenin bisdigitoxoside?
The CAS number of Digoxigenin bisdigitoxoside is 5297-05-2.
What is the molecular formula of Digoxigenin bisdigitoxoside?
The molecular formula of Digoxigenin bisdigitoxoside is C35H54O11.
What is the molecular weight of Digoxigenin bisdigitoxoside?
The molecular weight of Digoxigenin bisdigitoxoside is 650.37 g/mol.
Where can I buy Digoxigenin bisdigitoxoside?
You can request a quote for Digoxigenin bisdigitoxoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digoxigenin bisdigitoxoside?
Yes, KEHONG BIO provides custom synthesis services for Digoxigenin bisdigitoxoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.