ChemSpider 2D Image | 2-[(2-O-Acetyl-beta-D-glucopyranosyl)oxy]benzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate | C22H26O11

2-[(2-O-Acetyl-β-D-glucopyranosyl)oxy]benzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate

  • Molecular FormulaC22H26O11
  • Average mass466.435 Da
  • Monoisotopic mass466.147522 Da
  • ChemSpider ID21615373

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-Hydroxy-6-oxo-2-cyclohexène-1-carboxylate de 2-[(2-O-acétyl-β-D-glucopyranosyl)oxy]benzyle [French] [ACD/IUPAC Name]
2-[(2-O-Acetyl-β-D-glucopyranosyl)oxy]benzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate [ACD/IUPAC Name]
2-[(2-O-Acetyl-β-D-glucopyranosyl)oxy]benzyl-1-hydroxy-6-oxo-2-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-[(2-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]methyl ester [ACD/Index 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: 657.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 225.1±25.0 °C
Index of Refraction: 1.617
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.45
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.43
Polar Surface Area: 169 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 314.6±5.0 cm3

Click to predict properties on the Chemicalize site


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