ChemSpider 2D Image | 4-Hydroxy-2,6-diisopropylphenyl methyl beta-D-glucopyranosiduronate | C19H28O8

4-Hydroxy-2,6-diisopropylphenyl methyl β-D-glucopyranosiduronate

  • Molecular FormulaC19H28O8
  • Average mass384.421 Da
  • Monoisotopic mass384.178406 Da
  • ChemSpider ID77499316

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Hydroxy-2,6-diisopropylphenyl methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
4-Hydroxy-2,6-diisopropylphenyl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-hydroxy-2,6-bis(1-methylethyl)phenyl, methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 202.5±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.08
ACD/KOC (pH 5.5): 111.41
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.07
ACD/KOC (pH 7.4): 111.25
Polar Surface Area: 126 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 294.1±3.0 cm3

Click to predict properties on the Chemicalize site


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