Amphotericin B, propyl ester
TL;DR: Amphotericin B, propyl ester (CAS 55290-96-5) is a chemical compound with molecular formula C50H79NO17 and molecular weight 965.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl (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, propyl ester, amphotericin b propyl ester, propyl (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 | C50H79NO17 |
|---|---|
| Molecular Weight | 965.53 g/mol |
| LogP | 1.5803 |
| Topological Polar Surface Area | 308.61 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 5 |
| Exact Mass | 965.5348 |
| Heavy Atoms | 68 |
| Complexity | 1717.3677 |
Chemical Identifiers
| CAS Number | 55290-96-5 |
|---|---|
| SMILES | CCCOC(=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, propyl ester (CAS 55290-96-5), with molecular formula C50H79NO17 and molecular weight 965.53 g/mol. IUPAC: propyl (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, propyl ester
Property Insights of Amphotericin B, propyl ester
The XLogP value of 1.5803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amphotericin B, propyl ester. The TPSA of 308.61 Ų indicates high polarity, suggesting Amphotericin B, propyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amphotericin B, propyl 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, propyl ester?
The CAS number of Amphotericin B, propyl ester is 55290-96-5.
What is the molecular formula of Amphotericin B, propyl ester?
The molecular formula of Amphotericin B, propyl ester is C50H79NO17.
What is the molecular weight of Amphotericin B, propyl ester?
The molecular weight of Amphotericin B, propyl ester is 965.53 g/mol.
Where can I buy Amphotericin B, propyl ester?
You can request a quote for Amphotericin B, propyl 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, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Amphotericin B, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.