Echinocandin B der.
TL;DR: Echinocandin B der. (CAS 143131-16-2) is a chemical compound with molecular formula C53H88N8O16 and molecular weight 1092.6318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[21-(3-aminopropoxy)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]hexadecanamide
Also Known As: Echinocandin B der., Echinocandin B, 1-((4R,5R)-5-(3-aminopropoxy)-4-hydroxy-N2-(1-oxohexadecyl)-L-ornithine)-, Echinocandin B, 1-[(4R,5R)-5-(3-aminopropoxy)-4-hydroxy-N2-(1-oxohexadecyl)-L-ornithine]-, N-[3-aminopropoxy-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-trihydroxy-bis(1-hydroxyethyl)-methyl-hexaoxo-[?]yl]hexadecanamide
Technical Specifications
| Molecular Formula | C53H88N8O16 |
| Molecular Weight | 1092.6318 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 383.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 24 |
| Exact Mass | 1092.6318 Da |
| Heavy Atoms | 77 |
| Complexity | 1880.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)OCCCN)O |
| InChIKey | XSHXRYOJAITSJP-UHFFFAOYSA-N |
Chemical Property Profile of Echinocandin B der.
Property Insights of Echinocandin B der.
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Echinocandin B der.. The TPSA of 383.0 Ų indicates high polarity, suggesting Echinocandin B der. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Echinocandin B der. has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Echinocandin B der.?
The CAS number of Echinocandin B der. is 143131-16-2.
What is the molecular formula of Echinocandin B der.?
The molecular formula of Echinocandin B der. is C53H88N8O16.
What is the molecular weight of Echinocandin B der.?
The molecular weight of Echinocandin B der. is 1092.6318 g/mol.
Where can I buy Echinocandin B der.?
You can request a quote for Echinocandin B der. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Echinocandin B der.?
Yes, CoreyChem provides custom synthesis services for Echinocandin B der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.