ChemSpider 2D Image | 4-(beta-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate | C19H28O10

4-(β-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate

  • Molecular FormulaC19H28O10
  • Average mass416.420 Da
  • Monoisotopic mass416.168243 Da
  • ChemSpider ID29814112

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

4-(β-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate [ACD/IUPAC Name]
4-(β-D-Glucopyranosyloxy)benzyl-4,5-didesoxy-3-C-methylpentonat [German] [ACD/IUPAC Name]
4,5-Didésoxy-3-C-méthylpentonate de 4-(β-D-glucopyranosyloxy)benzyle [French] [ACD/IUPAC Name]
Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(β-D-glucopyranosyloxy)phenyl]methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 668.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 234.4±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.59
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.50
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.50
Polar Surface Area: 166 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 290.8±3.0 cm3

Click to predict properties on the Chemicalize site


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