ChemSpider 2D Image | (2E)-3-{[7-(Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxy-2,4-cyclohexadien-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-3-hydroxyacrylic acid | C24H24O14

(2E)-3-{[7-(Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxy-2,4-cyclohexadien-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-3-hydroxyacrylic acid

  • Molecular FormulaC24H24O14
  • Average mass536.439 Da
  • Monoisotopic mass536.116577 Da
  • ChemSpider ID95641238

More details:

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

(2E)-3-{[7-(Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxy-2,4-cyclohexadien-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-3-hydroxyacrylic acid [ACD/IUPAC Name]
(2E)-3-{[7-(Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxy-2,4-cyclohexadien-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-3-hydroxyacrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[[7-(hexopyranosyloxy)-5-hydroxy-2-(4-hydroxy-2,4-cyclohexadien-1-yl)-4-oxo-4H-1-benzopyran-3-yl]oxy]-3-hydroxy-, (2E)- [ACD/Index Name]
Acide (2E)-3-{[7-(hexopyranosyloxy)-5-hydroxy-2-(4-hydroxy-2,4-cyclohexadién-1-yl)-4-oxo-4H-chromén-3-yl]oxy}-3-hydroxyacrylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 899.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.0±3.0 kJ/mol
Flash Point: 306.5±27.8 °C
Index of Refraction: 1.753
Molar Refractivity: 122.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 116.8±5.0 dyne/cm
Molar Volume: 298.8±5.0 cm3

Click to predict properties on the Chemicalize site


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