洋地黄毒苷
TL;DR: 洋地黄毒苷 (CAS 71-63-6) is a chemical compound with molecular formula C41H64O13 and molecular weight 764.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
洋地黄毒苷
3-[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-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, Digimed, Digitophyllin, Cardidigin, Carditoxin
| Molecular Formula | C41H64O13 |
|---|---|
| Molecular Weight | 764.43 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 764.4347 |
| Heavy Atoms | 54 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 71-63-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O |
| InChIKey | WDJUZGPOPHTGOT-UHFFFAOYSA-N |
Product Overview
洋地黄毒苷 (CAS 71-63-6), with molecular formula C41H64O13 and molecular weight 764.43 g/mol. IUPAC: 3-[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-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 洋地黄毒苷
Property Insights of 洋地黄毒苷
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 洋地黄毒苷. The TPSA of 183.0 Ų indicates high polarity, suggesting 洋地黄毒苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 洋地黄毒苷 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 洋地黄毒苷?
The CAS number of 洋地黄毒苷 is 71-63-6.
What is the molecular formula of 洋地黄毒苷?
The molecular formula of 洋地黄毒苷 is C41H64O13.
What is the molecular weight of 洋地黄毒苷?
The molecular weight of 洋地黄毒苷 is 764.43 g/mol.
Where can I buy 洋地黄毒苷?
You can request a quote for 洋地黄毒苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 洋地黄毒苷?
Yes, KEHONG BIO provides custom synthesis services for 洋地黄毒苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.