[3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate

Base Information

• Chemical Name: [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate
• CAS No.: 7224-70-6
• Molecular Formula: C16H21 N O3
• Molecular Weight: 485.4386
• DSSTox Substance ID: DTXSID60992977
• Mol file: 7224-70-6.mol

Synonyms:7224-70-6;DTXSID60992977;2-Cyano-4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]but-2-en-1-yl acetate

Chemical Property of [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate

Chemical Property:

• Vapor Pressure: 5.78E-13mmHg at 25°C
• Boiling Point: 569.1°C at 760 mmHg
• Flash Point: 244.3°C
• Density: 1.3g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 15
• Exact Mass: 485.15332530
• Heavy Atom Count: 34
• Complexity: 857

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OCC=C(COC(=O)C)C#N)OC(=O)C)OC(=O)C)OC(=O)C