ChemSpider 2D Image | 1-O-[(3-Methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]hexopyranuronic acid | C23H20O10

1-O-[(3-Methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]hexopyranuronic acid

  • Molecular FormulaC23H20O10
  • Average mass456.399 Da
  • Monoisotopic mass456.105652 Da
  • ChemSpider ID22803344

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-O-[(3-Methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]hexopyranuronic acid [ACD/IUPAC Name]
1-O-[(3-Methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]hexopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[(3-méthyl-4-oxo-2-phényl-4H-chromén-8-yl)carbonyl]hexopyranuronique [French] [ACD/IUPAC Name]
Hexopyranuronic acid, 1-O-[(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)carbonyl]- [ACD/Index Name]
3-METHYLFLAVONE-8-CARBOXYLIC ACID ACYL-β-D-GLUCURONIDE
60218-13-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 752.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 263.5±26.4 °C
Index of Refraction: 1.692
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 86.5±5.0 dyne/cm
Molar Volume: 285.3±5.0 cm3

Click to predict properties on the Chemicalize site


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