Found 40 results

Search term: MF = 'C_{24}H_{28}O_{12}'
ChemSpider 2D Image | 2-[(2,6-Di-O-acetyl-beta-D-glucopyranosyl)oxy]benzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate | C24H28O12

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

  • Molecular FormulaC24H28O12
  • Average mass508.472 Da
  • Monoisotopic mass508.158081 Da
  • ChemSpider ID22913736

  • 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-[(2,6-di-O-acétyl-β-D-glucopyranosyl)oxy]benzyle [French] [ACD/IUPAC Name]
2-[(2,6-Di-O-acetyl-β-D-glucopyranosyl)oxy]benzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate [ACD/IUPAC Name]
2-[(2,6-Di-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-[(2,6-di-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: 1.4±0.1 g/cm3
Boiling Point: 660.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 220.3±25.0 °C
Index of Refraction: 1.594
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.33
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.29
Polar Surface Area: 175 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 352.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement