[6-[4-(Dimethylamino)-6-[[10-(dimethylamino)-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-oxacyclohexadec-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate

Base Information

• Chemical Name: [6-[4-(Dimethylamino)-6-[[10-(dimethylamino)-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-oxacyclohexadec-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
• CAS No.: 135363-57-4
• Molecular Formula: C42H76 N2 O13
• Molecular Weight: 817.06
• Mol file: 135363-57-4.mol

Synonyms:9-DADTN;9-N,N-dimethylamino-9-deoxy-10,11,12,13-tetrahydroniddamycin;9-N,N-dimethylamino-9-deoxy-10,11,12,13-tetrahydroniddamycin, (9R)-isomer

Chemical Property of [6-[4-(Dimethylamino)-6-[[10-(dimethylamino)-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-oxacyclohexadec-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate

Chemical Property:

• Vapor Pressure: 9.33E-35mmHg at 25°C
• Boiling Point: 863.4°Cat760mmHg
• Flash Point: 475.9°C
• PSA: 182.99000
• Density: 1.16g/cm³
• LogP: 3.45990
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 13
• Exact Mass: 816.53474048
• Heavy Atom Count: 57
• Complexity: 1240

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCCC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)N(C)C