Grayanin

Base Information

• Chemical Name: Grayanin
• CAS No.: 110978-97-7
• Molecular Formula: C23H23 N O9
• Molecular Weight: 457.43
• Wikidata: Q105033856
• Mol file: 110978-97-7.mol

Synonyms:Grayanin;110978-97-7;Benzeneacetonitrile, alpha-((6-O-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)oxy)-, (R-(E))-

Chemical Property of Grayanin

Chemical Property:

• Vapor Pressure: 4.56E-23mmHg at 25°C
• Boiling Point: 741.2°C at 760 mmHg
• Flash Point: 402°C
• Density: 1.51g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 457.13728131
• Heavy Atom Count: 33
• Complexity: 716

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O