Urechitoxin
TL;DR: Urechitoxin (CAS 56774-61-9) is a chemical compound with molecular formula C38H58O14 and molecular weight 738.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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: Urechitoxin, Norzimelidine, Oleandrigen + L-oleandrose + D-glucose, Oleandrigen + L-oleandrose + D-glucose [German], [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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
| Molecular Formula | C38H58O14 |
|---|---|
| Molecular Weight | 738.38 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 738.3826 |
| Heavy Atoms | 52 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 56774-61-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | ITYAEKHTQKSNBZ-LZDXGJHISA-N |
Product Overview
Urechitoxin (CAS 56774-61-9), with molecular formula C38H58O14 and molecular weight 738.38 g/mol. IUPAC: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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 Urechitoxin
Property Insights of Urechitoxin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urechitoxin. The TPSA of 200.0 Ų indicates high polarity, suggesting Urechitoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urechitoxin has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urechitoxin?
The CAS number of Urechitoxin is 56774-61-9.
What is the molecular formula of Urechitoxin?
The molecular formula of Urechitoxin is C38H58O14.
What is the molecular weight of Urechitoxin?
The molecular weight of Urechitoxin is 738.38 g/mol.
Where can I buy Urechitoxin?
You can request a quote for Urechitoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urechitoxin?
Yes, KEHONG BIO provides custom synthesis services for Urechitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.