Pneumocandin A0
TL;DR: Pneumocandin A0 (CAS 539823-80-8) is a chemical compound with molecular formula C51H82N8O17 and molecular weight 1078.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S,6S,9S,15S,18R,24S)-3-(3-amino-1-hydroxy-3-oxopropyl)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-(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]-10,12-dimethyltetradecanamide
Also Known As: Pneumocandin A0, 8214AH, 823P808, L-671329, L 671,329
| Molecular Formula | C51H82N8O17 |
|---|---|
| Molecular Weight | 1078.58 g/mol |
| LogP | -3.0953 |
| Topological Polar Surface Area | 411.28 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Exact Mass | 1078.5798 |
| Heavy Atoms | 76 |
| Complexity | 2137.0752 |
Chemical Identifiers
| CAS Number | 539823-80-8 |
|---|---|
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1CC(C(NC(=O)[C@@H]2C(C(CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CC(CN3C(=O)[C@@H](NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)C)O)O)O |
Product Overview
Pneumocandin A0 (CAS 539823-80-8), with molecular formula C51H82N8O17 and molecular weight 1078.58 g/mol. IUPAC: N-[(3S,6S,9S,15S,18R,24S)-3-(3-amino-1-hydroxy-3-oxopropyl)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-(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]-10,12-dimethyltetradecanamide.
Chemical Property Profile of Pneumocandin A0
Property Insights of Pneumocandin A0
The XLogP value of -3.0953 indicates that Pneumocandin A0 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 411.28 Ų indicates high polarity, suggesting Pneumocandin A0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pneumocandin A0 has 15 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pneumocandin A0?
The CAS number of Pneumocandin A0 is 539823-80-8.
What is the molecular formula of Pneumocandin A0?
The molecular formula of Pneumocandin A0 is C51H82N8O17.
What is the molecular weight of Pneumocandin A0?
The molecular weight of Pneumocandin A0 is 1078.58 g/mol.
Where can I buy Pneumocandin A0?
You can request a quote for Pneumocandin A0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pneumocandin A0?
Yes, KEHONG BIO provides custom synthesis services for Pneumocandin A0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.