11-Deoxydoxorubicin

Base Information

• Chemical Name: 11-Deoxydoxorubicin
• CAS No.: 71800-89-0
• Molecular Formula: C27H29 N O10
• Molecular Weight: 527.52
• Nikkaji Number: J93.382A
• Wikidata: Q77508714
• Metabolomics Workbench ID: 106859
• Mol file: 71800-89-0.mol

Synonyms:11-deoxyadriamycin;11-deoxydoxorubicin

Chemical Property of 11-Deoxydoxorubicin

Chemical Property:

• Vapor Pressure: 1.99E-26mmHg at 25°C
• Boiling Point: 791.8°C at 760 mmHg
• Flash Point: 432.7°C
• PSA: 185.84000
• Density: 1.55g/cm³
• LogP: 0.99600
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 527.17914612
• Heavy Atom Count: 38
• Complexity: 945

Purity/Quality:

95% min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)(C(=O)CO)O)N)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)(C(=O)CO)O)N)O