Digitoxigenin-galactose
TL;DR: Digitoxigenin-galactose (CAS 33275-60-4) is a chemical compound with molecular formula C29H44O9 and molecular weight 536.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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: Digitoxigenin-galactose, Glucodigitoxigenin, Digitoxigenin-beta-D-galactose, 3-O-, A-D-galactopyranosyl-Digitoxigenin
| Molecular Formula | C29H44O9 |
|---|---|
| Molecular Weight | 536.30 g/mol |
| LogP | 1.4285 |
| Topological Polar Surface Area | 145.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.2985 |
| Heavy Atoms | 38 |
| Complexity | 967.69543 |
Chemical Identifiers
| CAS Number | 33275-60-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O |
Product Overview
Digitoxigenin-galactose (CAS 33275-60-4), with molecular formula C29H44O9 and molecular weight 536.30 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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 Digitoxigenin-galactose
Property Insights of Digitoxigenin-galactose
The XLogP value of 1.4285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digitoxigenin-galactose. The TPSA of 145.91 Ų indicates high polarity, suggesting Digitoxigenin-galactose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digitoxigenin-galactose has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digitoxigenin-galactose?
The CAS number of Digitoxigenin-galactose is 33275-60-4.
What is the molecular formula of Digitoxigenin-galactose?
The molecular formula of Digitoxigenin-galactose is C29H44O9.
What is the molecular weight of Digitoxigenin-galactose?
The molecular weight of Digitoxigenin-galactose is 536.30 g/mol.
Where can I buy Digitoxigenin-galactose?
You can request a quote for Digitoxigenin-galactose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxigenin-galactose?
Yes, KEHONG BIO provides custom synthesis services for Digitoxigenin-galactose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.