TL;DR: Ambutyrosin sulfate (CAS 51022-98-1) is a chemical compound with molecular formula C21H49N5O22S2 and molecular weight 787.2311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid;dihydrate
Also Known As: Butirosin sulphate, Ambutyrosin sulfate, BUTIROSIN SULFATE, Butirosin, sulfate (salt), Butirosin sulphate anhydrous
| Molecular Formula | C21H49N5O22S2 |
| Molecular Weight | 787.2311 g/mol |
| XLogP | -10.74 |
| Topological Polar Surface Area (TPSA) | 480.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 10 |
| Exact Mass | 787.2311 Da |
| Heavy Atoms | 50 |
| Complexity | 853.0 |
| SMILES | C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)C(CCN)O)O)O[C@H]2[C@@H](C([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N.O.O.OS(=O)(=O)O.OS(=O)(=O)O |
| InChIKey | IUQWHBUMCWSQIM-OXNIXSIASA-N |
The XLogP value of -10.74 indicates that Ambutyrosin sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 480.0 Ų indicates high polarity, suggesting Ambutyrosin sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ambutyrosin sulfate has 18 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ambutyrosin sulfate is 51022-98-1.
The molecular formula of Ambutyrosin sulfate is C21H49N5O22S2.
The molecular weight of Ambutyrosin sulfate is 787.2311 g/mol.
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