Aclacinomycin B

Base Information

• Chemical Name: Aclacinomycin B
• CAS No.: 57596-79-9
• Molecular Formula: C42H51NO15
• Molecular Weight: 809.8
• UNII: P8EJD9HI5K
• Wikidata: Q27286373
• NCI Thesaurus Code: C1861
• Mol file: 57596-79-9.mol

Synonyms:aclacinomycin;aclacinomycin B;aclacinomycin Hydrochloride;aclacinomycin M;aclacinomycin N;aclacinomycin S;aclacinomycin T;aclacinomycin X;aclacinomycin Y;aclacinomycins;MA 144 N1;MA 144 S1;siwenmycin

Chemical Property of Aclacinomycin B

Chemical Property:

• PKA: 6.41±0.70(Predicted)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 809.32586992
• Heavy Atom Count: 58
• Complexity: 1580

Purity/Quality:

99%min ^*data from raw suppliers

ACLACINOMYCIN B 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC7C(C(O6)C)OC8C(O7)CC(=O)C(O8)C)N(C)C)O
• Isomeric SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]7[C@@H]([C@@H](O6)C)O[C@H]8[C@@H](O7)CC(=O)[C@@H](O8)C)N(C)C)O