ChemSpider 2D Image | 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate) | C27H26O12

4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC27H26O12
  • Average mass542.488 Da
  • Monoisotopic mass542.142456 Da
  • ChemSpider ID22913734

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)
4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl-6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
64898-03-9 [RN]
6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranoside de 4-[(E)-2-(3,5-dihydroxyphényl)vinyl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl, 6-(3,4,5-trihydroxybenzoate) [ACD/Index Name]
3,4',5-TOHS-6''-GGlc
80446-63-5 [RN]
Resveratrol-4�?O-(6�?galloyl)glucoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 943.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.8±3.0 kJ/mol
Flash Point: 317.0±27.8 °C
Index of Refraction: 1.760
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.66
ACD/KOC (pH 5.5): 364.36
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 18.06
ACD/KOC (pH 7.4): 246.74
Polar Surface Area: 207 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 87.8±3.0 dyne/cm
Molar Volume: 336.6±3.0 cm3

Click to predict properties on the Chemicalize site


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