16-Isovalerylgitoxin
TL;DR: 16-Isovalerylgitoxin (CAS 26184-94-1) is a chemical compound with molecular formula C46H72O15 and molecular weight 864.4871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-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] 3-methylbutanoate
Also Known As: 16-Isovalerylgitoxin, Gitoxin, 16-isovalerate, 16-O-ISOVALERYLGITOXIN, Gitoxin, 16-isovalerate (8CI), 3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-16-(3-methyl-1-oxobutoxy)card-20(22)-enolide (3beta,5beta,16beta)-
Technical Specifications
| Molecular Formula | C46H72O15 |
| Molecular Weight | 864.4871 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 864.4871 Da |
| Heavy Atoms | 61 |
| Complexity | 1620.0 |
| SMILES | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC([C@H]7C8=CC(=O)OC8)OC(=O)CC(C)C)O)C)C)C)C)O)O |
| InChIKey | WAUXRNRLQUPPMA-HHTDSMBASA-N |
Chemical Property Profile of 16-Isovalerylgitoxin
Property Insights of 16-Isovalerylgitoxin
The XLogP value of 3.4 indicates that 16-Isovalerylgitoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.0 Ų indicates high polarity, suggesting 16-Isovalerylgitoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 16-Isovalerylgitoxin has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 16-Isovalerylgitoxin?
The CAS number of 16-Isovalerylgitoxin is 26184-94-1.
What is the molecular formula of 16-Isovalerylgitoxin?
The molecular formula of 16-Isovalerylgitoxin is C46H72O15.
What is the molecular weight of 16-Isovalerylgitoxin?
The molecular weight of 16-Isovalerylgitoxin is 864.4871 g/mol.
Where can I buy 16-Isovalerylgitoxin?
You can request a quote for 16-Isovalerylgitoxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 16-Isovalerylgitoxin?
Yes, CoreyChem provides custom synthesis services for 16-Isovalerylgitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.