Inosamycin A

Base Information

• Chemical Name: Inosamycin A
• CAS No.: 91421-97-5
• Molecular Formula: C23H45N5O14
• Molecular Weight: 615.63
• DSSTox Substance ID: DTXSID70919756
• Wikidata: Q76280340
• Metabolomics Workbench ID: 97898
• Mol file: 91421-97-5.mol

Synonyms:BMY-28162;BMY-28163;BMY-28164;BMY-28165;Bu-2659;inosamycin A;inosamycin B;inosamycin C;inosamycin D;inosamycins

Chemical Property of Inosamycin A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 923.7°C at 760 mmHg
• Flash Point: 512.5°C
• PSA: 347.32000
• Density: 1.64g/cm³
• LogP: -5.36020
• XLogP3: -8.7
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 9
• Exact Mass: 615.29630113
• Heavy Atom Count: 42
• Complexity: 870

Purity/Quality:

99% ^*data from raw suppliers

INOSAMYCIN A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C(C1O)O)OC2C(C(C(O2)CO)OC3C(C(C(C(O3)CN)O)O)N)O)OC4C(C(C(C(O4)CN)O)O)N)N
• Isomeric SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CN)O)O)N)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CN)O)O)N)N