Digitoxin, tetraformate
TL;DR: Digitoxin, tetraformate (CAS 14435-27-9) is a chemical compound with molecular formula C45H64O17 and molecular weight 876.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-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-4-yl] formate
Also Known As: Tetraformyl-digitoxin, Digitoxin, tetraformate, [3-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-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-4-yl] formate, 3-{[2,6-Dideoxy-3,4-di-O-formylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-formylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-formylhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide
| Molecular Formula | C45H64O17 |
|---|---|
| Molecular Weight | 876.41 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Exact Mass | 876.41437 |
| Heavy Atoms | 62 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 14435-27-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2OC=O)OC3C(OC(CC3OC=O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)OC=O)OC=O |
| InChIKey | FWRCXZPLTUEYGS-UHFFFAOYSA-N |
Product Overview
Digitoxin, tetraformate (CAS 14435-27-9), with molecular formula C45H64O17 and molecular weight 876.41 g/mol. IUPAC: [3-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-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-4-yl] formate.
Chemical Property Profile of Digitoxin, tetraformate
Property Insights of Digitoxin, tetraformate
The XLogP value of 4.6 indicates that Digitoxin, tetraformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.0 Ų indicates high polarity, suggesting Digitoxin, tetraformate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digitoxin, tetraformate has 1 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digitoxin, tetraformate?
The CAS number of Digitoxin, tetraformate is 14435-27-9.
What is the molecular formula of Digitoxin, tetraformate?
The molecular formula of Digitoxin, tetraformate is C45H64O17.
What is the molecular weight of Digitoxin, tetraformate?
The molecular weight of Digitoxin, tetraformate is 876.41 g/mol.
Where can I buy Digitoxin, tetraformate?
You can request a quote for Digitoxin, tetraformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxin, tetraformate?
Yes, KEHONG BIO provides custom synthesis services for Digitoxin, tetraformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.