ChemSpider 2D Image | 5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl methyl beta-D-threo-hexopyranosiduronate | C23H22O11

5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl methyl β-D-threo-hexopyranosiduronate

  • Molecular FormulaC23H22O11
  • Average mass474.414 Da
  • Monoisotopic mass474.116211 Da
  • ChemSpider ID24843487

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-methoxyphenyl)-7-[(6-methyl-β-D-threo-hexopyranuronosyl)oxy]- [ACD/Index Name]
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl methyl β-D-threo-hexopyranosiduronate [ACD/IUPAC Name]
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-methyl-β-D-threo-hexopyranosiduronat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 730.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 253.3±26.4 °C
Index of Refraction: 1.657
Molar Refractivity: 113.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.50
ACD/KOC (pH 5.5): 79.88
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.72
Polar Surface Area: 161 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

Click to predict properties on the Chemicalize site


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