ChemSpider 2D Image | 5-Hydroxy-7-{[2-O-(beta-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl (2E)-3-(4-hydroxyphenyl)acrylate | C37H38O18

5-Hydroxy-7-{[2-O-(β-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID8570842

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxyphényl)acrylate de 5-hydroxy-7-{[2-O-(β-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(4-méthoxyphényl)-4-oxo-4H-chromén-6-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 5-hydroxy-7-[(2-O-β-L-mannopyranosyl-β-D-glucopyranosyl)oxy]-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl ester, (2E)- [ACD/Index Name]
5-Hydroxy-7-{[2-O-(β-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
5-Hydroxy-7-{[2-O-(β-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1075.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.2±3.0 kJ/mol
Flash Point: 334.5±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 183.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 281 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 104.0±5.0 dyne/cm
Molar Volume: 460.4±5.0 cm3

Click to predict properties on the Chemicalize site


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