Rhodilunancin A

Base Information

• Chemical Name: Rhodilunancin A
• CAS No.: 96705-22-5
• Molecular Formula: C₄₀H₅₃NO₁₃
• Molecular Weight: 755.86
• DSSTox Substance ID: DTXSID70242399
• Nikkaji Number: J92.040A
• Wikidata: Q83126085
• Metabolomics Workbench ID: 100848
• Mol file: 96705-22-5.mol

Synonyms:cosmomycin A;rhodilunancin A

Chemical Property of Rhodilunancin A

Chemical Property:

• Vapor Pressure: 2.47E-31mmHg at 25°C
• Boiling Point: 857.6°C at 760 mmHg
• Flash Point: 472.5°C
• Density: 1.41g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 755.35169075
• Heavy Atom Count: 54
• Complexity: 1340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1(CCC2=C(C1OC3CC(C(C(O3)C)OC4CCC(C(O4)C)OC5CCC(C(O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O
• Isomeric SMILES: CC[C@]1(CCC2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4CC[C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O