Esperamicin A2

Base Information

• Chemical Name: Esperamicin A2
• CAS No.: 99674-27-8
• Molecular Formula: C59H80N4O22S4
• Molecular Weight: 1325.5401
• Wikidata: Q105207143
• Mol file: 99674-27-8.mol

Synonyms:Esperamicin A2;99674-27-8

Chemical Property of Esperamicin A2

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.43g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 27
• Exact Mass: 1324.41470489
• Heavy Atom Count: 89
• Complexity: 2700

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C#CC=CC#CC3(C(C(=O)C(=C2C3=CCSSSC)NC(=O)OC)OC4CC(C(C(O4)C)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)O)OC6CC(C(CO6)NC(C)C)OC)O)NOC7CC(C(C(O7)C)SC)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OC2C#C/C=C\C#CC\3(C(C(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)O)O[C@H]6C[C@@H]([C@H](CO6)NC(C)C)OC)O)NO[C@@H]7C[C@H]([C@H]([C@@H](O7)C)SC)O