ChemSpider 2D Image | 2-[(3,4,6-Tri-O-acetyl-2-O-benzoyl-beta-D-glucopyranosyl)oxy]benzyl acetate | C28H30O12

2-[(3,4,6-Tri-O-acetyl-2-O-benzoyl-β-D-glucopyranosyl)oxy]benzyl acetate

  • Molecular FormulaC28H30O12
  • Average mass558.531 Da
  • Monoisotopic mass558.173706 Da
  • ChemSpider ID68024105

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(3,4,6-Tri-O-acetyl-2-O-benzoyl-β-D-glucopyranosyl)oxy]benzyl acetate [ACD/IUPAC Name]
2-[(3,4,6-Tri-O-acetyl-2-O-benzoyl-β-D-glucopyranosyl)oxy]benzyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-[(3,4,6-tri-O-acétyl-2-O-benzoyl-β-D-glucopyranosyl)oxy]benzyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-[(acetyloxy)methyl]phenyl, 3,4,6-triacetate 2-benzoate [ACD/Index Name]
18449-66-6 [RN]
2-(Acetoxymethyl)phenyl β-D-glucopyranoside 2-benzoate 3,4,6-triacetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 263.2±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 526.87
ACD/KOC (pH 5.5): 3088.85
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 526.87
ACD/KOC (pH 7.4): 3088.85
Polar Surface Area: 150 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 420.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement