ChemSpider 2D Image | (2S,4S,5S)-5-[(2E)-3-(2,6-Dimethoxyphenyl)-2-propen-1-yl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)vinyl]-1,3-dioxane | C31H34O6

(2S,4S,5S)-5-[(2E)-3-(2,6-Dimethoxyphenyl)-2-propen-1-yl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)vinyl]-1,3-dioxane

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID58127249

  • 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

(2S,4S,5S)-5-[(2E)-3-(2,6-Dimethoxyphenyl)-2-propen-1-yl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)vinyl]-1,3-dioxan [German] [ACD/IUPAC Name]
(2S,4S,5S)-5-[(2E)-3-(2,6-Dimethoxyphenyl)-2-propen-1-yl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)vinyl]-1,3-dioxane [ACD/IUPAC Name]
(2S,4S,5S)-5-[(2E)-3-(2,6-Diméthoxyphényl)-2-propén-1-yl]-4-(2-méthoxyphényl)-2-[(E)-2-(2-méthoxyphényl)vinyl]-1,3-dioxane [French] [ACD/IUPAC Name]
1,3-Dioxane, 5-[(2E)-3-(2,6-dimethoxyphenyl)-2-propen-1-yl]-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-, (2S,4S,5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 636.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 246.1±31.4 °C
Index of Refraction: 1.610
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16552.24
ACD/KOC (pH 5.5): 36428.79
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16552.24
ACD/KOC (pH 7.4): 36428.79
Polar Surface Area: 55 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 433.3±3.0 cm3

Click to predict properties on the Chemicalize site


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