Benzeneacetonitrile, alpha-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-, (R)-

Base Information

• Chemical Name: Benzeneacetonitrile, alpha-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-, (R)-
• CAS No.: 155-57-7
• Molecular Formula: C19H25 N O10
• Molecular Weight: 427.4025
• DSSTox Substance ID: DTXSID70935113
• Wikipedia: Vicianin
• Mol file: 155-57-7.mol

Synonyms:UNII-CQU61CXY3D;CQU61CXY3D;Benzeneacetonitrile, alpha-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-, (R)-;(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile;155-57-7;DTXSID70935113

Chemical Property of Benzeneacetonitrile, alpha-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-, (R)-

Chemical Property:

• Vapor Pressure: 2.29E-20mmHg at 25°C
• Boiling Point: 696.5°Cat760mmHg
• Flash Point: 375.1°C
• PSA: 182.09000
• Density: 1.56g/cm³
• LogP: -2.46892
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 427.14784599
• Heavy Atom Count: 30
• Complexity: 593

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC=CC=C3)O)O)O)O)O)O
• Isomeric SMILES: C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H](C#N)C3=CC=CC=C3)O)O)O)O)O)O

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