ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl methyl 2-O-acetyl-beta-D-threo-hexopyranosiduronate | C24H22O12

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl methyl 2-O-acetyl-β-D-threo-hexopyranosiduronate

  • Molecular FormulaC24H22O12
  • Average mass502.424 Da
  • Monoisotopic mass502.111115 Da
  • ChemSpider ID24843430

  • 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-[(2-O-acetyl-6-methyl-β-D-threo-hexopyranuronosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl methyl 2-O-acetyl-β-D-threo-hexopyranosiduronate [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-methyl-2-O-acetyl-β-D-threo-hexopyranosiduronat [German] [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: 743.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 254.8±26.4 °C
Index of Refraction: 1.677
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 7.97
ACD/KOC (pH 5.5): 144.01
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.48
Polar Surface Area: 178 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 85.7±5.0 dyne/cm
Molar Volume: 312.6±5.0 cm3

Click to predict properties on the Chemicalize site


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