Aculeacin A from aspergillus aculeatus
TL;DR: Aculeacin A from aspergillus aculeatus (CAS 58814-86-1) is a chemical compound with molecular formula C50H81N7O16 and molecular weight 1035.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-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: Aculeacin A, aculeacins, ACULEACIN A FROM ASPERGILLUS ACULEATUS, Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N(sup 2)-(1-oxohexadecyl)-L-ornithine)-, Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N(sup 2)-(1-oxohexadecyl)-L-ornithine)- (9CI)
| Molecular Formula | C50H81N7O16 |
|---|---|
| Molecular Weight | 1035.57 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 368.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Exact Mass | 1035.574 |
| Heavy Atoms | 73 |
| Complexity | 1810.0 |
Chemical Identifiers
| CAS Number | 58814-86-1 |
|---|---|
| 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)O)O |
| InChIKey | YKPHLXGEPNYRPY-UHFFFAOYSA-N |
Product Overview
Aculeacin A from aspergillus aculeatus (CAS 58814-86-1), with molecular formula C50H81N7O16 and molecular weight 1035.57 g/mol. IUPAC: N-[6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-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.
Chemical Property Profile of Aculeacin A from aspergillus aculeatus
Property Insights of Aculeacin A from aspergillus aculeatus
The XLogP value of 3.0 indicates that Aculeacin A from aspergillus aculeatus is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 368.0 Ų indicates high polarity, suggesting Aculeacin A from aspergillus aculeatus may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aculeacin A from aspergillus aculeatus has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aculeacin A from aspergillus aculeatus?
The CAS number of Aculeacin A from aspergillus aculeatus is 58814-86-1.
What is the molecular formula of Aculeacin A from aspergillus aculeatus?
The molecular formula of Aculeacin A from aspergillus aculeatus is C50H81N7O16.
What is the molecular weight of Aculeacin A from aspergillus aculeatus?
The molecular weight of Aculeacin A from aspergillus aculeatus is 1035.57 g/mol.
Where can I buy Aculeacin A from aspergillus aculeatus?
You can request a quote for Aculeacin A from aspergillus aculeatus directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aculeacin A from aspergillus aculeatus?
Yes, KEHONG BIO provides custom synthesis services for Aculeacin A from aspergillus aculeatus and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.