ChemSpider 2D Image | 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl alpha-D-idopyranoside | C21H20O10

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl α-D-idopyranoside

  • Molecular FormulaC21H20O10
  • Average mass432.378 Da
  • Monoisotopic mass432.105652 Da
  • ChemSpider ID62568482

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-(α-D-idopyranosyloxy)- [ACD/Index Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl α-D-idopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-α-D-idopyranosid [German] [ACD/IUPAC Name]
α-D-Idopyranoside de 5-hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 788.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 280.7±26.4 °C
Index of Refraction: 1.717
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 43.57
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.77
Polar Surface Area: 166 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 91.4±3.0 dyne/cm
Molar Volume: 263.2±3.0 cm3

Click to predict properties on the Chemicalize site


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