Verticillin

Base Information

• Chemical Name: Verticillin
• CAS No.: 12795-76-5
• Molecular Formula: C30H28N6O6S4
• Molecular Weight: 664.8411
• UNII: L03PG2D98P
• Nikkaji Number: J2.172.852G
• Wikipedia: Dideoxyverticillin_A
• Wikidata: Q15720554
• Pharos Ligand ID: R8SB5TTXAK4U
• Metabolomics Workbench ID: 161564
• ChEMBL ID: CHEMBL2172426
• Mol file: 12795-76-5.mol

Synonyms:verticillin A;verticillins

Chemical Property of Verticillin

Chemical Property:

• PSA: 246.96000
• Density: 1.76 g/cm³
• LogP: 1.35840
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 664.10548809
• Heavy Atom Count: 44
• Complexity: 1370

Purity/Quality:

99% ^*data from raw suppliers

VERTICILLIN A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC=CC=C5N4)C67CC89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)C)C
• Isomeric SMILES: C[C@]12C(=O)N3[C@@H]4[C@](C[C@@]3(C(=O)N1C)SS2)(C5=CC=CC=C5N4)[C@]67C[C@]89C(=O)N([C@](C(=O)N8[C@H]6NC1=CC=CC=C71)(SS9)C)C