3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
TL;DR: 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (CAS 18404-43-8) is a chemical compound with molecular formula C29H44O7 and molecular weight 504.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-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: Evatromonoside, Digitoxigenin digitoxoside, Digitoxigenin monodigitoxoside, 4-18-00-01475 (Beilstein Handbook Reference), 3-((2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (3beta,5beta)-
| Molecular Formula | C29H44O7 |
|---|---|
| Molecular Weight | 504.31 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.30872 |
| Heavy Atoms | 36 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 18404-43-8 |
|---|---|
| SMILES | CC1[C@H](C(C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O |
| InChIKey | NQOMDNMTNVQXRR-JHCLBYLPSA-N |
Product Overview
3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (CAS 18404-43-8), with molecular formula C29H44O7 and molecular weight 504.31 g/mol. IUPAC: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-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 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
Property Insights of 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
The CAS number of 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide is 18404-43-8.
What is the molecular formula of 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
The molecular formula of 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide is C29H44O7.
What is the molecular weight of 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
The molecular weight of 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide is 504.31 g/mol.
Where can I buy 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
You can request a quote for 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.