Acetylgitoxin
TL;DR: Acetylgitoxin (CAS 11021-15-1) 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.
[6-[6-[6-[[14,16-dihydroxy-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-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate
Also Known As: Acetylgitoxin, Digithapsin A, Acetylgitoxin-alpha, Desglucolanatoside B, Gitoxin, 3'''-acetate
| Molecular Formula | C43H66O15 |
|---|---|
| Molecular Weight | 822.44 g/mol |
| LogP | 2.1 |
| 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 | 11021-15-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)O)O)C)C)C)C)OC(=O)C)O |
| InChIKey | PTTCKAPHKAXOPN-UHFFFAOYSA-N |
Product Overview
Acetylgitoxin (CAS 11021-15-1), with molecular formula C43H66O15 and molecular weight 822.44 g/mol. IUPAC: [6-[6-[6-[[14,16-dihydroxy-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-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate.
Chemical Property Profile of Acetylgitoxin
Property Insights of Acetylgitoxin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylgitoxin. The TPSA of 209.0 Ų indicates high polarity, suggesting Acetylgitoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetylgitoxin 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?
The CAS number of Acetylgitoxin is 11021-15-1.
What is the molecular formula of Acetylgitoxin?
The molecular formula of Acetylgitoxin is C43H66O15.
What is the molecular weight of Acetylgitoxin?
The molecular weight of Acetylgitoxin is 822.44 g/mol.
Where can I buy Acetylgitoxin?
You can request a quote for Acetylgitoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylgitoxin?
Yes, KEHONG BIO provides custom synthesis services for Acetylgitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.