Enniatin B
TL;DR: Enniatin B (CAS 11113-62-5) is a chemical compound with molecular formula C33H57N3O9 and molecular weight 639.4095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Also Known As: Enniatin B, Enniatins, Enniatin complex, ENNIATINB, 3-N-Methylvaline Enniatin
Technical Specifications
| Molecular Formula | C33H57N3O9 |
| Molecular Weight | 639.4095 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 639.4095 Da |
| Heavy Atoms | 45 |
| Complexity | 952.0 |
| SMILES | CC(C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C |
| InChIKey | MIZMDSVSLSIMSC-VYLWARHZSA-N |
Chemical Property Profile of Enniatin B
Property Insights of Enniatin B
The XLogP value of 6.5 indicates that Enniatin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Enniatin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Enniatin B has 0 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 Enniatin B?
The CAS number of Enniatin B is 11113-62-5.
What is the molecular formula of Enniatin B?
The molecular formula of Enniatin B is C33H57N3O9.
What is the molecular weight of Enniatin B?
The molecular weight of Enniatin B is 639.4095 g/mol.
Where can I buy Enniatin B?
You can request a quote for Enniatin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Enniatin B?
Yes, CoreyChem provides custom synthesis services for Enniatin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.