Linustatin

Base Information

• Chemical Name: Linustatin
• CAS No.: 72229-40-4
• Molecular Formula: C16H27 N O11
• Molecular Weight: 409.39
• European Community (EC) Number: 889-208-8
• DSSTox Substance ID: DTXSID80992959
• Nikkaji Number: J412.305K
• Wikidata: Q27107219
• Metabolomics Workbench ID: 68122
• Mol file: 72229-40-4.mol

Synonyms:linustatin

Chemical Property of Linustatin

Chemical Property:

• Vapor Pressure: 6.96E-23mmHg at 25°C
• Melting Point: 123～124℃
• Boiling Point: 703.6°C at 760 mmHg
• Flash Point: 379.3°C
• PSA: 202.32000
• Density: 1.56g/cm³
• LogP: -4.07072
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 409.15841068
• Heavy Atom Count: 28
• Complexity: 566

Purity/Quality:

NLT 98% ^*data from raw suppliers

LINUSTATIN 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#N)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O
• Isomeric SMILES: CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O