ChemSpider 2D Image | 2,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose | C31H28O14

2,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose

  • Molecular FormulaC31H28O14
  • Average mass624.546 Da
  • Monoisotopic mass624.147888 Da
  • ChemSpider ID22913870

  • 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

2,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose [ACD/IUPAC Name]
2,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
2,6-Bis-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2,6-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-, 1-(3,4,5-trihydroxybenzoate) [ACD/Index 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: 960.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.5±3.0 kJ/mol
Flash Point: 312.6±27.8 °C
Index of Refraction: 1.722
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.33
ACD/KOC (pH 5.5): 691.70
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 40.26
ACD/KOC (pH 7.4): 426.20
Polar Surface Area: 230 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 99.9±5.0 dyne/cm
Molar Volume: 384.3±5.0 cm3

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