ChemSpider 2D Image | 2-(beta-D-Glucopyranosyloxy)benzyl 4-(beta-D-glucopyranosyloxy)-2-hydroxy-3-methoxybenzoate | C27H34O16

2-(β-D-Glucopyranosyloxy)benzyl 4-(β-D-glucopyranosyloxy)-2-hydroxy-3-methoxybenzoate

  • Molecular FormulaC27H34O16
  • Average mass614.549 Da
  • Monoisotopic mass614.184692 Da
  • ChemSpider ID32815884

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(β-D-Glucopyranosyloxy)benzyl 4-(β-D-glucopyranosyloxy)-2-hydroxy-3-methoxybenzoate [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)benzyl-4-(β-D-glucopyranosyloxy)-2-hydroxy-3-methoxybenzoat [German] [ACD/IUPAC Name]
4-(β-D-Glucopyranosyloxy)-2-hydroxy-3-méthoxybenzoate de 2-(β-D-glucopyranosyloxy)benzyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(β-D-glucopyranosyloxy)-2-hydroxy-3-methoxy-, [2-(β-D-glucopyranosyloxy)phenyl]methyl ester [ACD/Index Name]
71953-77-0 [RN]
atoms 53 bonds 56
Leiocarposide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 881.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.2±3.0 kJ/mol
Flash Point: 288.6±27.8 °C
Index of Refraction: 1.663
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.00
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.43
Polar Surface Area: 255 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement