14-O-Palmitoylhydroxyrubicin

Base Information

• Chemical Name: 14-O-Palmitoylhydroxyrubicin
• CAS No.: 124622-11-3
• Molecular Formula: C43H58 O13
• Molecular Weight: 782.9128
• DSSTox Substance ID: DTXSID70154443
• Wikidata: Q83021691
• Mol file: 124622-11-3.mol

Synonyms:14-O-palmitoylhydroxyrubicin

Chemical Property of 14-O-Palmitoylhydroxyrubicin

Chemical Property:

• Vapor Pressure: 3.21E-34mmHg at 25°C
• Boiling Point: 892.6°Cat760mmHg
• Flash Point: 262.3°C
• PSA: 206.35000
• Density: 1.32g/cm³
• LogP: 6.06710
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 21
• Exact Mass: 782.38774190
• Heavy Atom Count: 56
• Complexity: 1310

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)O)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)O)O