ChemSpider 2D Image | 6-O-[(2E)-3-Phenyl-2-propenoyl]-beta-D-fructofuranosyl alpha-D-glucopyranoside | C21H28O12

6-O-[(2E)-3-Phenyl-2-propenoyl]-β-D-fructofuranosyl α-D-glucopyranoside

  • Molecular FormulaC21H28O12
  • Average mass472.440 Da
  • Monoisotopic mass472.158081 Da
  • ChemSpider ID84487445

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

6-O-[(2E)-3-Phenyl-2-propenoyl]-β-D-fructofuranosyl α-D-glucopyranoside [ACD/IUPAC Name]
6-O-[(2E)-3-Phenyl-2-propenoyl]-β-D-fructofuranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de 6-O-[(2E)-3-phényl-2-propenoyl]-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-β-D-fructofuranosyl [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 791.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 274.3±26.4 °C
Index of Refraction: 1.655
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.11
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.11
Polar Surface Area: 196 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 298.9±5.0 cm3

Click to predict properties on the Chemicalize site


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