TL;DR: Colistin A (CAS 156857-60-2) is a chemical compound with molecular formula C53H100N16O13 and molecular weight 1168.7656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Also Known As: Colistin A, Colistin sulfate, Colistin IV, Polymixin E1, Polymyxin E1
| Molecular Formula | C53H100N16O13 |
| Molecular Weight | 1168.7656 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 491.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 29 |
| Exact Mass | 1168.7656 Da |
| Heavy Atoms | 82 |
| Complexity | 2070.0 |
| SMILES | CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O |
| InChIKey | XDJYMJULXQKGMM-BZUHZWDSSA-N |
The XLogP value of -2.8 indicates that Colistin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 491.0 Ų indicates high polarity, suggesting Colistin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Colistin A has 18 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Colistin A is 156857-60-2.
The molecular formula of Colistin A is C53H100N16O13.
The molecular weight of Colistin A is 1168.7656 g/mol.
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