Lankamycin

Base Information

• Chemical Name: Lankamycin
• CAS No.: 30042-37-6
• Molecular Formula: C42H72 O16
• Molecular Weight: 833.024
• UNII: 68DQY2P51C
• DSSTox Substance ID: DTXSID801318541
• Metabolomics Workbench ID: 98057,111133
• Nikkaji Number: J17.682F
• Wikidata: Q27149163
• Mol file: 30042-37-6.mol

Synonyms:kujimycin B;lankamycin

Chemical Property of Lankamycin

Chemical Property:

• Vapor Pressure: 2.82E-33mmHg at 25°C
• Melting Point: Double mp, 147-150° and 181-182°
• Boiling Point: 846°Cat760mmHg
• PKA: 12.75±0.70(Predicted)
• Flash Point: 238.7°C
• PSA: 212.04000
• Density: 1.19g/cm³
• LogP: 3.50400
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 12
• Exact Mass: 832.48203620
• Heavy Atom Count: 58
• Complexity: 1390

Purity/Quality:

99% ^*data from raw suppliers

KUJIMYCIN B 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(C(O1)OC2C(CC(C(=O)C(C(C(C(OC(=O)C(C(C2C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)C(C)C(C)O)C)OC(=O)C)C)(C)O)C)O)OC
• Isomeric SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@@H](C)[C@H](C)O)C)OC(=O)C)C)(C)O)C)O)OC