Acetylgitoxin-alpha
TL;DR: Acetylgitoxin-alpha (CAS 29362-48-9) is a chemical compound with molecular formula C43H66O15 and molecular weight 822.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,8R,9S,10S,13R,16R,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-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] acetate
Also Known As: Acetylgitoxin-alpha, alpha-Acetylgitoxin, Acetylgitoxin-alpha [German], Gitoxigenin + zuckerkette wie bei acetyl-digitoxin-alpha, Gitoxigenin + zuckerkette wie bei acetyl-digitoxin-alpha [German]
| Molecular Formula | C43H66O15 |
|---|---|
| Molecular Weight | 822.44 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 822.4402 |
| Heavy Atoms | 58 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 29362-48-9 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@H](O[C@@H]([C@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)O)O)C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7(C6(C[C@H]([C@@H]7C8=CC(=O)OC8)OC(=O)C)O)C)C)O)O |
| InChIKey | SZHBGTRKQDNXNC-RIYHBKJUSA-N |
Product Overview
Acetylgitoxin-alpha (CAS 29362-48-9), with molecular formula C43H66O15 and molecular weight 822.44 g/mol. IUPAC: [(3S,5R,8R,9S,10S,13R,16R,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-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] acetate.
Chemical Property Profile of Acetylgitoxin-alpha
Property Insights of Acetylgitoxin-alpha
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylgitoxin-alpha. The TPSA of 209.0 Ų indicates high polarity, suggesting Acetylgitoxin-alpha may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetylgitoxin-alpha has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylgitoxin-alpha?
The CAS number of Acetylgitoxin-alpha is 29362-48-9.
What is the molecular formula of Acetylgitoxin-alpha?
The molecular formula of Acetylgitoxin-alpha is C43H66O15.
What is the molecular weight of Acetylgitoxin-alpha?
The molecular weight of Acetylgitoxin-alpha is 822.44 g/mol.
Where can I buy Acetylgitoxin-alpha?
You can request a quote for Acetylgitoxin-alpha directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylgitoxin-alpha?
Yes, KEHONG BIO provides custom synthesis services for Acetylgitoxin-alpha and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.