9-Hydroxy-9-desmethylcyclosporine

Base Information

• Chemical Name: 9-Hydroxy-9-desmethylcyclosporine
• CAS No.: 132362-39-1
• Molecular Formula: C61H109 N11 O13
• Molecular Weight: 1204.58
• Mol file: 132362-39-1.mol

Synonyms:(9)-hydroxy-(9)-demethylcyclosporin;9-hydroxy-9-desmethylcyclosporine

Chemical Property of 9-Hydroxy-9-desmethylcyclosporine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1328.8°Cat760mmHg
• Flash Point: 757.4°C
• PSA: 325.27000
• Density: 1.035g/cm³
• LogP: 3.04860
• XLogP3: 6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 15
• Exact Mass: 1203.82063257
• Heavy Atom Count: 85
• Complexity: 2340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)(C)O)C)C)CC(C)C)C)C(C)C)C(C)CC)C)C
• Isomeric SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)(C)O)C)C)CC(C)C)C)C(C)C)C(C)CC)C)C