ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl alpha-L-talopyranoside | C21H20O9

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl α-L-talopyranoside

  • Molecular FormulaC21H20O9
  • Average mass416.378 Da
  • Monoisotopic mass416.110718 Da
  • ChemSpider ID62567560
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl α-L-talopyranoside [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl-α-L-talopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-(α-L-talopyranosyloxy)- [ACD/Index Name]
α-L-Talopyranoside de 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

Density: 1.6±0.1 g/cm3
Boiling Point: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 259.8±26.4 °C
Index of Refraction: 1.695
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 35.16
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 34.96
Polar Surface Area: 146 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 264.8±3.0 cm3

Click to predict properties on the Chemicalize site






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