ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl beta-D-threo-hexopyranoside | C22H22O10

3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl β-D-threo-hexopyranoside

  • Molecular FormulaC22H22O10
  • Average mass446.404 Da
  • Monoisotopic mass446.121307 Da
  • ChemSpider ID24842843

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(β-D-threo-hexopyranosyloxy)-3-(4-hydroxyphenyl)-7-methoxy- [ACD/Index Name]
β-D-thréo-Hexopyranoside de 3-(4-hydroxyphényl)-7-méthoxy-4-oxo-4H-chromén-5-yle [French] [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: 771.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 271.3±26.4 °C
Index of Refraction: 1.675
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.91
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.73
Polar Surface Area: 155 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 288.8±3.0 cm3

Click to predict properties on the Chemicalize site


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