6-Epitetrodotoxin
TL;DR: 6-Epitetrodotoxin (CAS 112318-40-8) is a chemical compound with molecular formula C11H17N3O8 and molecular weight 319.10156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,5R,7R,9S,11S,13S,14R)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
Also Known As: 6-Epitetrodotoxin, 4-Epitetrodotoxin, 6-epi-Tetrodotoxin, 6-epi-TTX, Tetrodotoxin, (6beta)-
Technical Specifications
| Molecular Formula | C11H17N3O8 |
| Molecular Weight | 319.10156 g/mol |
| XLogP | -5.9 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.10156 Da |
| Heavy Atoms | 22 |
| Complexity | 561.0 |
| SMILES | C([C@]1([C@H]2C3[C@H](N=C(N[C@]34[C@@H]([C@](O2)(O[C@H]1C4O)O)O)N)O)O)O |
| InChIKey | CFMYXEVWODSLAX-YPXFGVONSA-N |
Chemical Property Profile of 6-Epitetrodotoxin
Property Insights of 6-Epitetrodotoxin
The XLogP value of -5.9 indicates that 6-Epitetrodotoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting 6-Epitetrodotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Epitetrodotoxin has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Epitetrodotoxin?
The CAS number of 6-Epitetrodotoxin is 112318-40-8.
What is the molecular formula of 6-Epitetrodotoxin?
The molecular formula of 6-Epitetrodotoxin is C11H17N3O8.
What is the molecular weight of 6-Epitetrodotoxin?
The molecular weight of 6-Epitetrodotoxin is 319.10156 g/mol.
Where can I buy 6-Epitetrodotoxin?
You can request a quote for 6-Epitetrodotoxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Epitetrodotoxin?
Yes, CoreyChem provides custom synthesis services for 6-Epitetrodotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.