ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl alpha-D-galactopyranosiduronic acid | C16H16O9

4-Methyl-2-oxo-2H-chromen-7-yl α-D-galactopyranosiduronic acid

  • Molecular FormulaC16H16O9
  • Average mass352.293 Da
  • Monoisotopic mass352.079437 Da
  • ChemSpider ID31046936
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 7-(α-D-galactopyranuronosyloxy)-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl α-D-galactopyranosiduronic acid [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-α-D-galactopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide α-D-galactopyranosiduronique de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-1-benzopyran-7-yl α-D-galactopyranosiduronic acid
4-Methylumbelliferyl a-D-Galacturonic Acid
67968-37-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 683.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 255.0±25.0 °C
Index of Refraction: 1.664
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 84.7±3.0 dyne/cm
Molar Volume: 215.8±3.0 cm3

Click to predict properties on the Chemicalize site






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