ChemSpider 2D Image | 3',5'-Dihydroxy-1,1':4',1''-terphenyl-2'-yl methyl beta-D-glucopyranosiduronate | C25H24O9

3',5'-Dihydroxy-1,1':4',1''-terphenyl-2'-yl methyl β-D-glucopyranosiduronate

  • Molecular FormulaC25H24O9
  • Average mass468.453 Da
  • Monoisotopic mass468.142029 Da
  • ChemSpider ID31141640

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3',5'-Dihydroxy-1,1':4',1''-terphenyl-2'-yl methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
3',5'-Dihydroxy-1,1':4',1''-terphenyl-2'-yl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronate de 3',5'-dihydroxy-1,1':4',1''-terphényl-2'-yle et de méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 3',5'-dihydroxy[1,1':4',1''-terphenyl]-2'-yl, methyl ester [ACD/Index Name]
echoside A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 692.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 236.8±25.0 °C
Index of Refraction: 1.663
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.85
ACD/KOC (pH 5.5): 107.79
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.62
ACD/KOC (pH 7.4): 102.72
Polar Surface Area: 146 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

Click to predict properties on the Chemicalize site


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