ChemSpider 2D Image | 3,4,5-Trimethoxyphenyl 6-O-[(2R,3R,4S)-4-({[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-beta-D-glucopyranoside | C29H36O16

3,4,5-Trimethoxyphenyl 6-O-[(2R,3R,4S)-4-({[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC29H36O16
  • Average mass640.586 Da
  • Monoisotopic mass640.200317 Da
  • ChemSpider ID9017113

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

3,4,5-Trimethoxyphenyl 6-O-[(2R,3R,4S)-4-({[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
3,4,5-Trimethoxyphenyl-6-O-[(2R,3R,4S)-4-({[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4S)-4-({[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]oxy}méthyl)-3,4-dihydroxytétrahydro-2-furanyl]-β-D-glucopyranoside de 3,4,5-triméthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3,4,5-trimethoxyphenyl 6-O-[(2R,3R,4S)-4-[[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]tetrahydro-3,4-dihydroxy-2-furanyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 888.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 286.7±27.8 °C
Index of Refraction: 1.656
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.29
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.95
Polar Surface Area: 233 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 85.6±5.0 dyne/cm
Molar Volume: 410.1±5.0 cm3

Click to predict properties on the Chemicalize site


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