beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, methyl ester

Base Information

• Chemical Name: beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, methyl ester
• CAS No.: 79076-87-2
• Molecular Formula: C23H22O11
• Molecular Weight: 474.4142
• DSSTox Substance ID: DTXSID801000249
• Mol file: 79076-87-2.mol

Synonyms:Acacetin-7-O-glucuronide methyl ester;79076-87-2;beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, methyl ester;D08TCW;DTXSID801000249;5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl methyl hexopyranosiduronate

Chemical Property of beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, methyl ester

Chemical Property:

• Vapor Pressure: 2.13E-22mmHg at 25°C
• Boiling Point: 730.4°Cat760mmHg
• Flash Point: 253.3°C
• Density: 1.541g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 474.11621151
• Heavy Atom Count: 34
• Complexity: 777

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)OC)O)O)O)O
• Isomeric SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O)O