Pacidamycin 2

Base Information

• Chemical Name: Pacidamycin 2
• CAS No.: 121264-06-0
• Molecular Formula: C39H49 N9 O12
• Molecular Weight: 835.85946
• Wikidata: Q105277012
• Mol file: 121264-06-0.mol

Synonyms:pacidamycin 2

Chemical Property of Pacidamycin 2

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 343.04000
• Density: 1.457g/cm³
• LogP: 1.69080
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 17
• Exact Mass: 835.35006803
• Heavy Atom Count: 60
• Complexity: 1690

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)CC(C(C(=O)N(C=C1CC(C(O1)N2C=CC(=O)NC2=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)N)N(C)C(=O)C(CC4=CC(=CC=C4)O)NC(=O)C(C)N)N
• Isomeric SMILES: C[C@@H](C(=O)CC(C(C(=O)N(/C=C/1\CC(C(O1)N2C=CC(=O)NC2=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)N)N(C)C(=O)[C@H](CC4=CC(=CC=C4)O)NC(=O)[C@H](C)N)N