Avoparcin

Base Information

• Chemical Name: Avoparcin
• CAS No.: 37332-99-3
• Molecular Formula: C89H102ClN9O36
• Molecular Weight: 1909.26
• European Community (EC) Number: 253-466-4
• NCI Thesaurus Code: C169798
• Wikipedia: Avoparcin
• Mol file: 37332-99-3.mol

Synonyms:alpha-avoparcin;avoparcin;Avotan;LL-AV 290

Chemical Property of Avoparcin

Chemical Property:

• PSA: 631.26000
• LogP: 3.47230
• XLogP3: -3
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 34
• Rotatable Bond Count: 15
• Exact Mass: 1745.5587749
• Heavy Atom Count: 124
• Complexity: 3620

Purity/Quality:

98%Min ^*data from raw suppliers

AVOPARCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(C1=CC=C(O4)C=C1)O)NC(=O)C(C1=CC=C(C=C1)OC1C(C(C(C(O1)C)O)O)O)NC)C1=CC=C(C=C1)O)O)C(=O)O)OC1CC(C(C(O1)C)O)N)Cl)CO)O)O)N)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9C([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)N)OC1=CC=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)C1=CC=C(C=C1)O)NC(=O)[C@@H](C1=CC=C(C=C1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)NC)O)O)C(=O)O)N)O
• Uses: Antibacterial.