ChemSpider 2D Image | beta-L-Fructofuranosyl 2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-alpha-D-glucopyranoside | C22H30O14

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

  • Molecular FormulaC22H30O14
  • Average mass518.465 Da
  • Monoisotopic mass518.163574 Da
  • ChemSpider ID84487565

  • 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

2-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-α-D-glucopyranoside de β-L-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, β-L-fructofuranosyl 2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
β-L-Fructofuranosyl 2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-D-glucopyranoside [ACD/IUPAC Name]
β-L-Fructofuranosyl-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-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: 1.6±0.1 g/cm3
Boiling Point: 828.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 281.9±27.8 °C
Index of Refraction: 1.663
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.64
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.57
Polar Surface Area: 225 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 95.8±5.0 dyne/cm
Molar Volume: 317.3±5.0 cm3

Click to predict properties on the Chemicalize site


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