ChemSpider 2D Image | beta-L-Fructofuranosyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-D-glucopyranoside | C21H28O13

β-L-Fructofuranosyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-D-glucopyranoside

  • Molecular FormulaC21H28O13
  • Average mass488.439 Da
  • Monoisotopic mass488.152985 Da
  • ChemSpider ID29814605

  • 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-(4-Hydroxyphényl)-2-propenoyl]-α-D-glucopyranoside de β-L-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, β-L-fructofuranosyl 6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
β-L-Fructofuranosyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-D-glucopyranoside [ACD/IUPAC Name]
β-L-Fructofuranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-D-glucopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 833.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 287.6±27.8 °C
Index of Refraction: 1.676
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.86
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.78
Polar Surface Area: 216 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 99.6±5.0 dyne/cm
Molar Volume: 295.7±5.0 cm3

Click to predict properties on the Chemicalize site


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