3'-Deamino-4'-deoxy-4'-epiaminoidarubicin

Base Information

• Chemical Name: 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin
• CAS No.: 124917-28-8
• Molecular Formula: C26H27 N O8
• Molecular Weight: 481.4945
• DSSTox Substance ID: DTXSID50924964
• Nikkaji Number: J543.581A
• Wikidata: Q82899195
• Mol file: 124917-28-8.mol

Synonyms:124917-28-8;DTXSID50924964;9-Acetyl-7-[(5-amino-6-methyloxan-2-yl)oxy]-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione

Chemical Property of 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin

Chemical Property:

• Vapor Pressure: 1.76E-19mmHg at 25°C
• Boiling Point: 681°Cat760mmHg
• Flash Point: 365.7°C
• Density: 1.5g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 481.17366682
• Heavy Atom Count: 35
• Complexity: 879

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(CCC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N
• Isomeric SMILES: C[C@H]1[C@@H](CC[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N