13-O-Desmethylascomycin

Base Information

• Chemical Name: 13-O-Desmethylascomycin
• CAS No.: 153781-48-7
• Molecular Formula: C42H67 N O12
• Molecular Weight: 777.98
• ChEMBL ID: CHEMBL1275814
• Mol file: 153781-48-7.mol

Synonyms:13-O-desmethylascomycin;13-O-desmethylimmunomycin

Chemical Property of 13-O-Desmethylascomycin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 885.2°Cat760mmHg
• Flash Point: 489.1°C
• PSA: 189.36000
• Density: 1.22g/cm³
• LogP: 3.75670
• XLogP3: 2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 777.46632657
• Heavy Atom Count: 55
• Complexity: 1410

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)O)OC)C)C
• Isomeric SMILES: CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)O)OC)C)\C