aclacinomycin S

Base Information

• Chemical Name: aclacinomycin S
• CAS No.: 64431-69-2
• Molecular Formula: C36H45 N O13
• Molecular Weight: 699.74
• DSSTox Substance ID: DTXSID20214687
• Nikkaji Number: J75.136G
• Wikidata: Q27147745
• ChEMBL ID: CHEMBL4798940
• Mol file: 64431-69-2.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 S

Chemical Property:

• Vapor Pressure: 2.98E-28mmHg at 25°C
• Boiling Point: 817.3°C at 760 mmHg
• PKA: 6.41±0.70(Predicted)
• Flash Point: 448.1°C
• PSA: 201.75000
• Density: 1.45g/cm³
• LogP: 2.03930
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 699.28909049
• Heavy Atom Count: 50
• Complexity: 1270

Purity/Quality:

95% ^*data from raw 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)OC6CC(C(C(O6)C)O)O)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]([C@@H]([C@@H](O6)C)O)O)N(C)C)O

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