Mycelianamide

Base Information

• Chemical Name: Mycelianamide
• CAS No.: 22775-52-6
• Molecular Formula: C₂₂H₂₈N₂O₅
• Molecular Weight: 400.475
• UNII: EW6HF2IEY8
• Wikidata: Q77494260
• Metabolomics Workbench ID: 109131
• Mol file: 22775-52-6.mol

Synonyms:Mycelianamide;EW6HF2IEY8;NSC 263359;22775-52-6;NSC-263359;2,5-Piperazinedione, 3-((4-((3,7-dimethyl-2,6-octadienyl)oxy)phenyl)methylene)-1,4-dihydroxy-6-methyl-, (S-(?,E))-;2,5-Piperazinedione, 3-[[4-[(3,7-dimethyl-2,6-octadienyl)oxy]phenyl]methylene]-1,4-dihydroxy-6-methyl-, [S-(?,E)]-;UNII-EW6HF2IEY8;MYCELIANAMIDE [MI];SCHEMBL2368719;2,5-Piperazinedione, 3-[p-[(3,7-dimethyl-2,6-octadienyl)oxy]benzylidene]-1,4-dihydroxy-6-methyl-, (?,E)-(S)-

Chemical Property of Mycelianamide

Chemical Property:

• Vapor Pressure: 6.27E-16mmHg at 25°C
• Melting Point: 170-172 °C (decomp)
• Boiling Point: 613.9°Cat760mmHg
• PKA: 6.83±0.40(Predicted)
• Flash Point: 325.1°C
• PSA: 90.31000
• Density: 1.24g/cm³
• LogP: 3.81250
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 400.19982200
• Heavy Atom Count: 29
• Complexity: 685

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)N(C(=CC2=CC=C(C=C2)OCC=C(C)CCC=C(C)C)C(=O)N1O)O
• Isomeric SMILES: C[C@H]1C(=O)N(/C(=C/C2=CC=C(C=C2)OC/C=C(\C)/CCC=C(C)C)/C(=O)N1O)O