ChemSpider 2D Image | 4-Acetyl-2,6-dimethoxyphenyl 3,5,6-tri-O-benzyl-beta-D-glucofuranoside | C37H40O9

4-Acetyl-2,6-dimethoxyphenyl 3,5,6-tri-O-benzyl-β-D-glucofuranoside

  • Molecular FormulaC37H40O9
  • Average mass628.708 Da
  • Monoisotopic mass628.267212 Da
  • ChemSpider ID9311040

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,5,6-Tri-O-benzyl-β-D-glucofuranoside de 4-acétyl-2,6-diméthoxyphényle [French] [ACD/IUPAC Name]
4-Acetyl-2,6-dimethoxyphenyl 3,5,6-tri-O-benzyl-β-D-glucofuranoside [ACD/IUPAC Name]
4-Acetyl-2,6-dimethoxyphenyl-3,5,6-tri-O-benzyl-β-D-glucofuranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[3,5-dimethoxy-4-[[3,5,6-tris-O-(phenylmethyl)-β-D-glucofuranosyl]oxy]phenyl]- [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: 758.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 234.4±26.4 °C
Index of Refraction: 1.611
Molar Refractivity: 172.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11401.76
ACD/KOC (pH 5.5): 27897.77
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11401.71
ACD/KOC (pH 7.4): 27897.65
Polar Surface Area: 102 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 497.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement