(4''R)-4''-(Acetylamino)-5-O-demethyl-4''-deoxy-26-methoxyavermectin A1a

Base Information

• Chemical Name: (4''R)-4''-(Acetylamino)-5-O-demethyl-4''-deoxy-26-methoxyavermectin A1a
• CAS No.: 156153-52-5
• Molecular Formula: C51H77 N O15
• Molecular Weight: 944.29
• Mol file: 156153-52-5.mol

Synonyms:(4''R)-4''-(Acetylamino)-5-O-demethyl-4''-deoxy-26-methoxyavermectin A1a;Avermectin A1a, 4''-(acetylamino)-5-O-demethyl-4''-deoxy-26-methoxy-, (4''R)-;156153-52-5;C51H77NO15;C51-H77-N-O15;LS-22266

Chemical Property of (4''R)-4''-(Acetylamino)-5-O-demethyl-4''-deoxy-26-methoxyavermectin A1a

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 943.52932075
• Heavy Atom Count: 67
• Complexity: 1880

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)COC)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC(=O)C)OC)OC)C)C
• Isomeric SMILES: CCC(C)C1C(C=CC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)COC)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC(=O)C)OC)OC)\C)C