N-Benzyladriamycin-14-valerate

Base Information

• Chemical Name: N-Benzyladriamycin-14-valerate
• CAS No.: 98983-21-2
• Molecular Formula: C39H43 N O12
• Molecular Weight: 717.76
• DSSTox Substance ID: DTXSID40243893
• Nikkaji Number: J417.825D
• Wikidata: Q83128092
• Mol file: 98983-21-2.mol

Synonyms:AD 198;AD-198;N-benzyladriamycin-14-valerate

Chemical Property of N-Benzyladriamycin-14-valerate

Chemical Property:

• Vapor Pressure: 2.34E-33mmHg at 25°C
• Boiling Point: 882.4°Cat760mmHg
• Flash Point: 487.5°C
• PSA: 198.15000
• Density: 1.43g/cm³
• LogP: 3.96440
• Storage Temp.: 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 13
• Exact Mass: 717.27852581
• Heavy Atom Count: 52
• Complexity: 1290

Purity/Quality:

98%Min ^*data from raw suppliers

AD-198 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(=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)NCC6=CC=CC=C6)O
• Isomeric SMILES: CCCCC(=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)NCC6=CC=CC=C6)O

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