Antibiotic K 41

Base Information

• Chemical Name: Antibiotic K 41
• CAS No.: 53026-37-2
• Deprecated CAS: 69522-15-2,263855-49-8
• Molecular Formula: C48H82 O18
• Molecular Weight: 947.15
• Hs Code.: 29419000
• Nikkaji Number: J1.893.599F
• Wikidata: Q105219544
• Mol file: 53026-37-2.mol

Synonyms:antibiotic K-41A;K 41;K 41 monopotassium salt;K 41A;K-41;K-41A

Chemical Property of Antibiotic K 41

Chemical Property:

• Melting Point: 158-160 °C
• Boiling Point: 913.8°Cat760mmHg
• PKA: 3.48±0.11(Predicted)
• Flash Point: 252.7°C
• PSA: 217.98000
• Density: 1.25g/cm³
• LogP: 3.94180
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 14
• Exact Mass: 946.55011576
• Heavy Atom Count: 66
• Complexity: 1660

Purity/Quality:

K-41 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(OC(C(C1OC2CCC(C(O2)C)OC)C)(C)O)C3CCC(O3)C4CCC(O4)C5(C(C(C6(O5)C(C(CC(O6)CC7C(C(C(C(O7)(C(C(=O)O)O)O)C)OC)(C)OC)OC)C)C)OC)C
• Isomeric SMILES: C[C@@H]1[C@H](O[C@]([C@@H]([C@H]1O[C@H]2CC[C@@H]([C@H](O2)C)OC)C)(C)O)[C@H]3CC[C@@H](O3)[C@@H]4CC[C@@H](O4)[C@@]5([C@@H]([C@H]([C@@]6(O5)[C@@H]([C@@H](C[C@H](O6)C[C@H]7[C@]([C@H]([C@@H]([C@](O7)([C@H](C(=O)O)O)O)C)OC)(C)OC)OC)C)C)OC)C