Amphotericin B, ethyl ester
TL;DR: Amphotericin B, ethyl ester (CAS 55298-62-9) is a chemical compound with molecular formula C49H77NO17 and molecular weight 951.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Also Known As: Amphotericin B, ethyl ester, Amophotericin B, ethyl ester, Amphotericin B ethyl ester, ethyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate
| Molecular Formula | C49H77NO17 |
|---|---|
| Molecular Weight | 951.52 g/mol |
| LogP | 1.1902 |
| Topological Polar Surface Area | 308.61 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 4 |
| Exact Mass | 951.51917 |
| Heavy Atoms | 67 |
| Complexity | 1700.1852 |
Chemical Identifiers
| CAS Number | 55298-62-9 |
|---|---|
| SMILES | CCOC(=O)[C@H]1[C@@H]2C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C[C@@H](CC[C@H]([C@@H](C[C@@H](C[C@@](O2)(C[C@@H]1O)O)O)O)O)O)O)C)C)O)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O |
Product Overview
Amphotericin B, ethyl ester (CAS 55298-62-9), with molecular formula C49H77NO17 and molecular weight 951.52 g/mol. IUPAC: ethyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate.
Chemical Property Profile of Amphotericin B, ethyl ester
Property Insights of Amphotericin B, ethyl ester
The XLogP value of 1.1902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amphotericin B, ethyl ester. The TPSA of 308.61 Ų indicates high polarity, suggesting Amphotericin B, ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amphotericin B, ethyl ester has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amphotericin B, ethyl ester?
The CAS number of Amphotericin B, ethyl ester is 55298-62-9.
What is the molecular formula of Amphotericin B, ethyl ester?
The molecular formula of Amphotericin B, ethyl ester is C49H77NO17.
What is the molecular weight of Amphotericin B, ethyl ester?
The molecular weight of Amphotericin B, ethyl ester is 951.52 g/mol.
Where can I buy Amphotericin B, ethyl ester?
You can request a quote for Amphotericin B, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amphotericin B, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Amphotericin B, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.