beta-D-Glucopyranosiduronic acid, 2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester

Base Information

• Chemical Name: beta-D-Glucopyranosiduronic acid, 2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester
• CAS No.: 126005-95-6
• Molecular Formula: C24H24 O12
• Molecular Weight: 504.4402
• DSSTox Substance ID: DTXSID30925373
• Wikidata: Q82899685
• Mol file: 126005-95-6.mol

Synonyms:126005-95-6;Luteolin 3',4'-dimethyl ether-7-O-beta-D-methylglucuronide;beta-D-Glucopyranosiduronic acid, 2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester;DTXSID30925373;2-(3,4-Dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl methyl hexopyranosiduronate

Chemical Property of beta-D-Glucopyranosiduronic acid, 2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester

Chemical Property:

• Vapor Pressure: 2.5E-23mmHg at 25°C
• Boiling Point: 745.3°Cat760mmHg
• Flash Point: 254.7°C
• Density: 1.52g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 504.12677620
• Heavy Atom Count: 36
• Complexity: 832

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)OC)O)O)O)O)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O)O)OC