ChemSpider 2D Image | 4-Hydroxyphenyl 2-O-[(2E)-4-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-butenoyl]-6-O-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-propenoyl]-beta-D-glucopyranoside | C31H30O13

4-Hydroxyphenyl 2-O-[(2E)-4-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-butenoyl]-6-O-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC31H30O13
  • Average mass610.562 Da
  • Monoisotopic mass610.168640 Da
  • ChemSpider ID26384825
  • 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-O-[(2E)-4-(1-Hydroxy-4-oxo-2,5-cyclohexadién-1-yl)-2-butenoyl]-6-O-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadién-1-yl)-2-propenoyl]-β-D-glucopyranoside de 4-hydroxyphényle [French] [ACD/IUPAC Name]
4-Hydroxyphenyl 2-O-[(2E)-4-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-butenoyl]-6-O-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxyphenyl-2-O-[(2E)-4-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-butenoyl]-6-O-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-hydroxyphenyl 2-O-[(2E)-4-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-1-oxo-2-buten-1-yl]-6-O-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 892.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 290.0±27.8 °C
Index of Refraction: 1.675
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 37.56
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 37.46
Polar Surface Area: 206 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 401.4±5.0 cm3

Click to predict properties on the Chemicalize site





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