ChemSpider 2D Image | 4-[7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-({2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-4-oxo-4H-chromen-2-yl]phenyl beta-D-glucopyranoside | C42H46O23

4-[7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-({2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-4-oxo-4H-chromen-2-yl]phenyl β-D-glucopyranoside

  • Molecular FormulaC42H46O23
  • Average mass918.801 Da
  • Monoisotopic mass918.242981 Da
  • ChemSpider ID28646593

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

4-[7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-({2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-4-oxo-4H-chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-({2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-4-oxo-4H-chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-3-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
β-D-Glucopyranoside de 4-[7-(β-D-glucopyranosyloxy)-5-hydroxy-3-({2-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-4-oxo-4H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1226.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 191.2±3.0 kJ/mol
Flash Point: 367.3±27.8 °C
Index of Refraction: 1.754
Molar Refractivity: 212.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): -3.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 371 Å2
Polarizability: 84.2±0.5 10-24cm3
Surface Tension: 119.9±5.0 dyne/cm
Molar Volume: 519.1±5.0 cm3

Click to predict properties on the Chemicalize site


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