TL;DR: Zwittermicin A (CAS 155547-95-8) is a chemical compound with molecular formula C13H28N6O8 and molecular weight 396.19687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
Also Known As: Zwittermicin A, zwittermicin A (unspecified stereochemistry), J2.626.460J, 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide, N-(1-Carbamoyl-2-ureidoethyl)-2,3,5,7,9-pentahydroxy-4,8-diaminononanamide
| Molecular Formula | C13H28N6O8 |
| Molecular Weight | 396.19687 g/mol |
| XLogP | -7.3 |
| Topological Polar Surface Area (TPSA) | 281.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 396.19687 Da |
| Heavy Atoms | 27 |
| Complexity | 509.0 |
| SMILES | C(C(C(CO)N)O)C(C(C(C(C(=O)NC(CNC(=O)N)C(=O)N)O)O)N)O |
| InChIKey | FYIPKJHNWFVEIR-UHFFFAOYSA-N |
The XLogP value of -7.3 indicates that Zwittermicin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 281.0 Ų indicates high polarity, suggesting Zwittermicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Zwittermicin A has 11 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Zwittermicin A is 155547-95-8.
The molecular formula of Zwittermicin A is C13H28N6O8.
The molecular weight of Zwittermicin A is 396.19687 g/mol.
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