ChemSpider 2D Image | [(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-3-furanyl]methyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C32H36O11

[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-3-furanyl]methyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC32H36O11
  • Average mass596.622 Da
  • Monoisotopic mass596.225769 Da
  • ChemSpider ID23314690

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2Z)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de [(2S,3R,4R)-4-(4-hydroxy-3,5-diméthoxybenzyl)-2-(4-hydroxy-3,5-diméthoxyphényl)tétrahydro-3-furanyl]méthyle [French] [ACD/IUPAC Name]
[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-3-furanyl]methyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-3-furanyl]methyl-(2Z)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
[(2S,3R,4R)-4-(4-hydroxy-3,5-dimethoxybenzyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydrofuran-3-yl]methyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, [(2S,3R,4R)-tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-furanyl]methyl ester, (2Z)- [ACD/Index Name]
(+)-9'-O-(Z)-feruloyl-5,5'-dimethoxylariciresinol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 242.3±26.4 °C
Index of Refraction: 1.603
Molar Refractivity: 159.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.18
ACD/KOC (pH 5.5): 722.20
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.54
ACD/KOC (pH 7.4): 715.51
Polar Surface Area: 142 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 464.0±3.0 cm3

Click to predict properties on the Chemicalize site


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