Tallysomycin A

Base Information

• Chemical Name: Tallysomycin A
• CAS No.: 65057-90-1
• Molecular Formula: C68H110 N22 O27 S2
• Molecular Weight: 1732.12
• NSC Number: 279496
• DSSTox Substance ID: DTXSID201318155
• Wikidata: Q105297348
• NCI Thesaurus Code: C152497
• Metabolomics Workbench ID: 158209
• Mol file: 65057-90-1.mol

Synonyms:talisomycin;tallysomycin;tallysomycin A;tallysomycin B;tallysomycin S(10) b

Chemical Property of Tallysomycin A

Chemical Property:

• Refractive Index: 1.6700 (estimate)
• PSA: 881.89000
• Density: 1.58g/cm³
• LogP: -2.64720
• XLogP3: -13.3
• Hydrogen Bond Donor Count: 28
• Hydrogen Bond Acceptor Count: 41
• Rotatable Bond Count: 48
• Exact Mass: 1730.7352187
• Heavy Atom Count: 119
• Complexity: 3240

Purity/Quality:

99%, ^*data from raw suppliers

TALISOMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N
• Uses: Antineoplastic.

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