Desmethyl Tacrolimus

Base Information

• Chemical Name: Desmethyl Tacrolimus
• CAS No.: 132172-14-6
• Molecular Formula: C43H67NO12
• Molecular Weight: 789.9916
• Nikkaji Number: J1.194.511B
• Mol file: 132172-14-6.mol

Synonyms:13-desmethyl FK 506;L 683519;L-683519

Chemical Property of Desmethyl Tacrolimus

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 888.2°Cat760mmHg
• Flash Point: 491°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(C(C2CC(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)OC)O)C)O)C)O)OC
• Isomeric SMILES: CC1CC(C(C2CC(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)OC)O)/C)O)C)O)OC