alpha-Viniferin

Base Information

• Chemical Name: alpha-Viniferin
• CAS No.: 62218-13-7
• Molecular Formula: C42H30O9
• Molecular Weight: 678.695
• UNII: 53XER6FHLX
• DSSTox Substance ID: DTXSID40211274
• Nikkaji Number: J239.399I
• Wikipedia: Alpha-Viniferin
• Wikidata: Q4734921
• Metabolomics Workbench ID: 64528
• ChEMBL ID: CHEMBL443463
• Mol file: 62218-13-7.mol

Synonyms:alpha-viniferin

Chemical Property of alpha-Viniferin

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 9.06±0.70(Predicted)
• Flash Point: °C
• PSA: 149.07000
• Density: 1.517g/cm³
• LogP: 8.03040
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 678.18898253
• Heavy Atom Count: 51
• Complexity: 1080

Purity/Quality:

98%Min ^*data from raw suppliers

alpha-Viniferin >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O
• Isomeric SMILES: C1=CC(=CC=C1[C@H]2[C@@H]3C4=C5[C@@H]([C@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8[C@H]([C@@H](OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O