ChemSpider 2D Image | 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-threo-hexopyranoside | C22H22O11

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranoside

  • Molecular FormulaC22H22O11
  • Average mass462.404 Da
  • Monoisotopic mass462.116211 Da
  • ChemSpider ID24843829

  • 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, 7-(β-D-threo-hexopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-thréo-Hexopyranoside de 5-hydroxy-2-(3-hydroxy-4-méthoxyphényl)-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: 803.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 281.7±27.8 °C
Index of Refraction: 1.695
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 40.72
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.40
Polar Surface Area: 175 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 85.2±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

Click to predict properties on the Chemicalize site


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