TL;DR: N-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B (CAS 136365-26-9) is a chemical compound with molecular formula C60H87NO22 and molecular weight 1173.572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
33-[3,5-dihydroxy-4-[[3-hydroxy-3-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)-2-oxopropyl]amino]-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-carboxylic acid
Also Known As: N-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B, 3-[3,5-dihydroxy-4-[[3-hydroxy-3-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)-2-oxopropyl]amino]-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-carboxylic acid
| Molecular Formula | C60H87NO22 |
| Molecular Weight | 1173.572 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 382.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 9 |
| Exact Mass | 1173.572 Da |
| Heavy Atoms | 83 |
| Complexity | 2200.0 |
| SMILES | CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)NCC(=O)C(C4C(COC(O4)C5=CC=CC=C5)O)O)O |
| InChIKey | YYVJNIYMABZJJH-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B. The TPSA of 382.0 Ų indicates high polarity, suggesting N-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B has 14 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B is 136365-26-9.
The molecular formula of N-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B is C60H87NO22.
The molecular weight of N-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B is 1173.572 g/mol.
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