Digitoxin digitoxoside
TL;DR: Digitoxin digitoxoside (CAS 16479-50-8) is a chemical compound with molecular formula C35H54O10 and molecular weight 634.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,10S,13R,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-14-hydroxy-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: Digitoxin digitoxoside, Digitoxigenin bisdigitoxide, Digitoxigenin bisdigitoxoside, Digitoxigenin-bis(digitoxoside), Digitoxigenin di(digitoxoside)
| Molecular Formula | C35H54O10 |
|---|---|
| Molecular Weight | 634.37 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 634.3717 |
| Heavy Atoms | 45 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 16479-50-8 |
|---|---|
| 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)CCC5C4CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)C)C)O)O |
| InChIKey | CERUVRSAHAFOLZ-LAWPZHMJSA-N |
Product Overview
Digitoxin digitoxoside (CAS 16479-50-8), with molecular formula C35H54O10 and molecular weight 634.37 g/mol. IUPAC: 3-[(3S,5R,10S,13R,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-14-hydroxy-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 Digitoxin digitoxoside
Property Insights of Digitoxin digitoxoside
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digitoxin digitoxoside. The TPSA of 144.0 Ų indicates high polarity, suggesting Digitoxin digitoxoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digitoxin digitoxoside has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digitoxin digitoxoside?
The CAS number of Digitoxin digitoxoside is 16479-50-8.
What is the molecular formula of Digitoxin digitoxoside?
The molecular formula of Digitoxin digitoxoside is C35H54O10.
What is the molecular weight of Digitoxin digitoxoside?
The molecular weight of Digitoxin digitoxoside is 634.37 g/mol.
Where can I buy Digitoxin digitoxoside?
You can request a quote for Digitoxin digitoxoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxin digitoxoside?
Yes, KEHONG BIO provides custom synthesis services for Digitoxin digitoxoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.