3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide
TL;DR: 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide (CAS 11014-58-7) is a chemical compound with molecular formula C30H44O9 and molecular weight 548.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate
Also Known As: Lanadoxin, Gitaloxigenin-mono-digitoxosid, Gitaloxigenin-mono-digitoxosid [German], 4-18-00-02466 (Beilstein Handbook Reference), Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-16-(formyloxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-
| Molecular Formula | C30H44O9 |
|---|---|
| Molecular Weight | 548.30 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.2985 |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 11014-58-7 |
|---|---|
| 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)OC=O)O)C)C)O)O |
| InChIKey | IOXIBFLACIBMNF-RBRVDKDNSA-N |
Product Overview
3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide (CAS 11014-58-7), with molecular formula C30H44O9 and molecular weight 548.30 g/mol. IUPAC: [(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate.
Chemical Property Profile of 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide
Property Insights of 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide has 3 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 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide?
The CAS number of 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide is 11014-58-7.
What is the molecular formula of 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide?
The molecular formula of 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide is C30H44O9.
What is the molecular weight of 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide?
The molecular weight of 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide is 548.30 g/mol.
Where can I buy 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide?
You can request a quote for 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-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)-16-(formyloxy)-14-hydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,6-Dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.