31-O-Demethyl-FK506

Base Information

• Chemical Name: 31-O-Demethyl-FK506
• CAS No.: 135635-47-1
• Molecular Formula: C43H67 N O12
• Molecular Weight: 789.99
• Mol file: 135635-47-1.mol

Synonyms:31-O-demethyl-FK-506;31-O-demethyl-FK506;31-O-demethyl-FK506, (3S(3R*,(E(1S*,3S*,4S*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-isomer;31-O-demethylFK506

Chemical Property of 31-O-Demethyl-FK506

Chemical Property:

• Vapor Pressure: 1.62E-35mmHg at 25°C
• Boiling Point: 872.1°Cat760mmHg
• Flash Point: 481.2°C
• PSA: 189.36000
• Density: 1.21g/cm³
• LogP: 3.92280
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 789.46632657
• Heavy Atom Count: 56
• Complexity: 1460

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)O)O)C)O)C)OC)OC
• Isomeric SMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(/C=C(/C1)\C)CC=C)O)C)/C(=C/C4CCC(C(C4)O)O)/C)O)C)OC)OC