狭叶毛地黄苷
TL;DR: 狭叶毛地黄苷 (CAS 52589-12-5) is a chemical compound with molecular formula C41H64O15 and molecular weight 796.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
狭叶毛地黄苷
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-12,14,16-trihydroxy-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: Diginatin, Digoxin EP Impurity E, Diginatigenin-tridigitoxosid [German], (3, A,5
| Molecular Formula | C41H64O15 |
|---|---|
| Molecular Weight | 796.42 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 796.4245 |
| Heavy Atoms | 56 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 52589-12-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CC(C7C8=CC(=O)OC8)O)O)C)O)C)C)C)O)O |
| InChIKey | AASCKLXRKILUGL-UHFFFAOYSA-N |
Product Overview
狭叶毛地黄苷 (CAS 52589-12-5), with molecular formula C41H64O15 and molecular weight 796.42 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-12,14,16-trihydroxy-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 狭叶毛地黄苷
Property Insights of 狭叶毛地黄苷
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 狭叶毛地黄苷. The TPSA of 223.0 Ų indicates high polarity, suggesting 狭叶毛地黄苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 狭叶毛地黄苷 has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 狭叶毛地黄苷?
The CAS number of 狭叶毛地黄苷 is 52589-12-5.
What is the molecular formula of 狭叶毛地黄苷?
The molecular formula of 狭叶毛地黄苷 is C41H64O15.
What is the molecular weight of 狭叶毛地黄苷?
The molecular weight of 狭叶毛地黄苷 is 796.42 g/mol.
Where can I buy 狭叶毛地黄苷?
You can request a quote for 狭叶毛地黄苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 狭叶毛地黄苷?
Yes, KEHONG BIO provides custom synthesis services for 狭叶毛地黄苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.