Patellamide E

Base Information

• Chemical Name: Patellamide E
• CAS No.: 140430-46-2
• Molecular Formula: C39H50 N8 O6 S2
• Molecular Weight: 790.99
• DSSTox Substance ID: DTXSID70930820
• Wikidata: Q82906264

Synonyms:patellamide E

Chemical Property of Patellamide E

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1037.4°Cat760mmHg
• Flash Point: 581.2°C
• PSA: 255.80000
• Density: 1.44g/cm³
• LogP: 4.24100
• XLogP3: 6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 790.32947369
• Heavy Atom Count: 55
• Complexity: 1480

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: other linear non-peptide (Cyanobactin)
• Canonical SMILES: CCC(C)C1C2=NC(C(O2)C)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C5=NC(=CS5)C(=O)N1)C(C)C)C(C)C)CC6=CC=CC=C6

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