TL;DR: FR 901379 (CAS 1609399-30-5) is a chemical compound with molecular formula C51H82N8O21S and molecular weight 1174.5315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate
Also Known As: FR 901379, FR 901379 sodium, Micafungin Sodium Impurity 1, Micafungin WF11899A Impurity, EX-A5475
| Molecular Formula | C51H82N8O21S |
| Molecular Weight | 1174.5315 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 483.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 24 |
| Exact Mass | 1174.5315 Da |
| Heavy Atoms | 81 |
| Complexity | 2230.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC(=C(C=C4)O)OS(=O)(=O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O |
| InChIKey | KAPLTEIQCKDUAT-UYCSHIFKSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FR 901379. The TPSA of 483.0 Ų indicates high polarity, suggesting FR 901379 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 901379 has 16 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of FR 901379 is 1609399-30-5.
The molecular formula of FR 901379 is C51H82N8O21S.
The molecular weight of FR 901379 is 1174.5315 g/mol.
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