ChemSpider 2D Image | 7-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl beta-D-erythro-hexopyranoside | C22H22O10

7-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl β-D-erythro-hexopyranoside

  • Molecular FormulaC22H22O10
  • Average mass446.404 Da
  • Monoisotopic mass446.121307 Da
  • ChemSpider ID101935747

  • 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, 8-(β-D-erythro-hexopyranosyloxy)-7-hydroxy-3-(4-methoxyphenyl)- [ACD/Index Name]
7-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl β-D-erythro-hexopyranoside [ACD/IUPAC Name]
7-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl-β-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
β-D-érythro-Hexopyranoside de 7-hydroxy-3-(4-méthoxyphényl)-4-oxo-4H-chromén-8-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: 757.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 266.2±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: -0.49
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.99
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
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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