Dihydrodigoxin
TL;DR: Dihydrodigoxin (CAS 5297-10-9) is a chemical compound with molecular formula C41H66O14 and molecular weight 782.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-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]oxolan-2-one
Also Known As: Dihydrodigoxin, 20,22-Dihydrodigoxin, Digoxin, dihydro-, 4-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-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]oxolan-2-one, (3beta,5beta,12beta)-3-[(O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-cardanolide
| Molecular Formula | C41H66O14 |
|---|---|
| Molecular Weight | 782.45 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 782.44525 |
| Heavy Atoms | 55 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 5297-10-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8CC(=O)OC8)O)C)O)C)C)C)O)O |
| InChIKey | QYVJGQUFXQMOOE-UHFFFAOYSA-N |
Product Overview
Dihydrodigoxin (CAS 5297-10-9), with molecular formula C41H66O14 and molecular weight 782.45 g/mol. IUPAC: 4-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-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]oxolan-2-one.
Chemical Property Profile of Dihydrodigoxin
Property Insights of Dihydrodigoxin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrodigoxin. The TPSA of 203.0 Ų indicates high polarity, suggesting Dihydrodigoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydrodigoxin has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydrodigoxin?
The CAS number of Dihydrodigoxin is 5297-10-9.
What is the molecular formula of Dihydrodigoxin?
The molecular formula of Dihydrodigoxin is C41H66O14.
What is the molecular weight of Dihydrodigoxin?
The molecular weight of Dihydrodigoxin is 782.45 g/mol.
Where can I buy Dihydrodigoxin?
You can request a quote for Dihydrodigoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrodigoxin?
Yes, KEHONG BIO provides custom synthesis services for Dihydrodigoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.