Mulundocandin
TL;DR: Mulundocandin (CAS 26482-10-0) is a chemical compound with molecular formula C48H77N7O16 and molecular weight 1007.54 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-15-(1-hydroxyethyl)-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-12-methyltetradecanamide
Also Known As: Mulundocandin, n-{23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-20-(hydroxymethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1h-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-12-methyltetradecanamide, Echinocandin B, 1-(4,5-dihydroxy-N-(12-methyl-1-oxotetradecyl)ornithine)-5-serine-, N-[6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-12-methyltetradecanamide
| Molecular Formula | C48H77N7O16 |
|---|---|
| Molecular Weight | 1007.54 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 368.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 1007.54266 |
| Heavy Atoms | 71 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 26482-10-0 |
|---|---|
| SMILES | CCC(C)CCCCCCCCCCC(=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)CO)C)O)O)O |
| InChIKey | WUPSJTQKGFMDON-UHFFFAOYSA-N |
Product Overview
Mulundocandin (CAS 26482-10-0), with molecular formula C48H77N7O16 and molecular weight 1007.54 g/mol. IUPAC: N-[6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-12-methyltetradecanamide.
Chemical Property Profile of Mulundocandin
Property Insights of Mulundocandin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mulundocandin. The TPSA of 368.0 Ų indicates high polarity, suggesting Mulundocandin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mulundocandin 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 Mulundocandin?
The CAS number of Mulundocandin is 26482-10-0.
What is the molecular formula of Mulundocandin?
The molecular formula of Mulundocandin is C48H77N7O16.
What is the molecular weight of Mulundocandin?
The molecular weight of Mulundocandin is 1007.54 g/mol.
Where can I buy Mulundocandin?
You can request a quote for Mulundocandin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mulundocandin?
Yes, KEHONG BIO provides custom synthesis services for Mulundocandin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.