Digitoxigenin-2-deoxy-beta-D-glucoside
TL;DR: Digitoxigenin-2-deoxy-beta-D-glucoside (CAS 73986-99-9) is a chemical compound with molecular formula C29H44O8 and molecular weight 520.30 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)-3-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-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: Digitoxigenin-2-deoxy-beta-D-glucoside, 3-[(2-Deoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide, (14xi)-3beta-[(2-Deoxy-alpha-D-arabino-hexopyranosyl)oxy]-14-hydroxy-5beta-card-20(22)-enolide, 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-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, Card-20(22)-enolide, 3-[(2-deoxy-.beta.-D-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
| Molecular Formula | C29H44O8 |
|---|---|
| Molecular Weight | 520.30 g/mol |
| LogP | 2.4577 |
| Topological Polar Surface Area | 125.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.3036 |
| Heavy Atoms | 37 |
| Complexity | 936.86743 |
Chemical Identifiers
| CAS Number | 73986-99-9 |
|---|---|
| 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]6C[C@H]([C@@H]([C@H](O6)CO)O)O |
Product Overview
Digitoxigenin-2-deoxy-beta-D-glucoside (CAS 73986-99-9), with molecular formula C29H44O8 and molecular weight 520.30 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-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 Digitoxigenin-2-deoxy-beta-D-glucoside
Property Insights of Digitoxigenin-2-deoxy-beta-D-glucoside
The XLogP value of 2.4577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digitoxigenin-2-deoxy-beta-D-glucoside. The TPSA of 125.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Digitoxigenin-2-deoxy-beta-D-glucoside. Following Lipinski's Rule of Five, Digitoxigenin-2-deoxy-beta-D-glucoside has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digitoxigenin-2-deoxy-beta-D-glucoside?
The CAS number of Digitoxigenin-2-deoxy-beta-D-glucoside is 73986-99-9.
What is the molecular formula of Digitoxigenin-2-deoxy-beta-D-glucoside?
The molecular formula of Digitoxigenin-2-deoxy-beta-D-glucoside is C29H44O8.
What is the molecular weight of Digitoxigenin-2-deoxy-beta-D-glucoside?
The molecular weight of Digitoxigenin-2-deoxy-beta-D-glucoside is 520.30 g/mol.
Where can I buy Digitoxigenin-2-deoxy-beta-D-glucoside?
You can request a quote for Digitoxigenin-2-deoxy-beta-D-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxigenin-2-deoxy-beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Digitoxigenin-2-deoxy-beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.