3'-Deamino-3'-hydroxydaunorubicin

Base Information

• Chemical Name: 3'-Deamino-3'-hydroxydaunorubicin
• CAS No.: 95405-79-1
• Molecular Formula: C27H28 O11
• Molecular Weight: 528.50462
• NSC Number: 297279,294987
• DSSTox Substance ID: DTXSID80913447
• Pharos Ligand ID: 5F6W8JJZS7CM
• ChEMBL ID: CHEMBL1708554
• Mol file: 95405-79-1.mol

Synonyms:3'-hydroxy-3',5'-diepidaunorubicin;3'-hydroxy-3',5'-diepidaunorubicin, beta-D-arabino derivative;3-HDED

Chemical Property of 3'-Deamino-3'-hydroxydaunorubicin

Chemical Property:

• Vapor Pressure: 1.98E-25mmHg at 25°C
• Boiling Point: 777.3°Cat760mmHg
• Flash Point: 261.3°C
• Density: 1.58g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 528.16316171
• Heavy Atom Count: 38
• Complexity: 955

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)O