Bleomycetin

Base Information

• Chemical Name: Bleomycetin
• CAS No.: 11116-32-8
• Molecular Formula: C57H89 N19 O21 S2
• Molecular Weight: 1423.73
• European Community (EC) Number: 234-357-0
• Nikkaji Number: J25.636F
• Wikipedia: Pingyangmycin
• Wikidata: Q27147663
• NCI Thesaurus Code: C1279
• Mol file: 11116-32-8.mol

Synonyms:bleomycetin;bleomycetin hydrochloride;bleomycin A5;N1-(3-((4-aminobutyl)amino)propyl)bleomycinamide;NSC-350895;pingyangmycin;zhengguangmycin A5

Chemical Property of Bleomycetin

Chemical Property:

• Refractive Index: 1.687
• Boiling Point: °Cat760mmHg
• PKA: 10.84±0.46(Predicted)
• Flash Point: °C
• PSA: 721.60000
• Density: 1.56g/cm³
• LogP: -1.43400
• XLogP3: -8.8
• Hydrogen Bond Donor Count: 22
• Hydrogen Bond Acceptor Count: 33
• Rotatable Bond Count: 40
• Exact Mass: 1439.59218327
• Heavy Atom Count: 99
• Complexity: 2620

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bleomycin A5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O
• Isomeric SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O