ChemSpider 2D Image | 6-O-Acetyl-3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside | C32H38O17

6-O-Acetyl-3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl 6-O-benzoyl-α-D-glucopyranoside

  • Molecular FormulaC32H38O17
  • Average mass694.634 Da
  • Monoisotopic mass694.210876 Da
  • ChemSpider ID8162773

  • 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-Acetyl-3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl 6-O-benzoyl-α-D-glucopyranoside [ACD/IUPAC Name]
6-O-Acetyl-3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl-6-O-benzoyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Benzoyl-α-D-glucopyranoside de 6-O-acétyl-3-O-[(2E)-3-(4-hydroxy-3,5-diméthoxyphényl)-2-propenoyl]-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 6-O-acetyl-3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl, 6-benzoate [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 878.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 276.4±27.8 °C
Index of Refraction: 1.635
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.75
ACD/KOC (pH 5.5): 272.81
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.67
ACD/KOC (pH 7.4): 271.60
Polar Surface Area: 246 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 79.8±5.0 dyne/cm
Molar Volume: 455.9±5.0 cm3

Click to predict properties on the Chemicalize site


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