TL;DR: [(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium (CAS 122547-71-1) is a chemical compound with molecular formula C10H20N2O2 and molecular weight 200.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium
Also Known As: Maniwamycin B, Antibiotic KA 7367B, KA 7367B, (S-(R*,R*-(Z,E)))-3-(1-Hexenyl-ONN-azoxy)-2-butanol, 2-hydroxybutane-3-NNO-azoxy-1'-(1'-hexene)
| Molecular Formula | C10H20N2O2 |
| Molecular Weight | 200.15248 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.15248 Da |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
| SMILES | CCCC/C=C/[N+](=N[C@@H](C)[C@H](C)O)[O-] |
| InChIKey | YSGFBXZSDXVSLM-IZPMOTALSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium. Following Lipinski's Rule of Five, [(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium is 122547-71-1.
The molecular formula of [(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium is C10H20N2O2.
The molecular weight of [(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium is 200.15248 g/mol.
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