ChemSpider 2D Image | (2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)acrylate | C32H36O11

(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)acrylate

  • Molecular FormulaC32H36O11
  • Average mass596.622 Da
  • Monoisotopic mass596.225769 Da
  • ChemSpider ID59006413

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-3-(3,4,5-Triméthoxyphényl)acrylate de (2R,3R)-5,7-diméthoxy-2-(3,4,5-triméthoxyphényl)-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)acrylate [ACD/IUPAC Name]
(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl-(2E)-3-(3,4,5-trimethoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, (2R,3R)-3,4-dihydro-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2H-1-benzopyran-3-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 296.6±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 926.52
ACD/KOC (pH 5.5): 4626.72
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 926.52
ACD/KOC (pH 7.4): 4626.72
Polar Surface Area: 109 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 465.0±5.0 cm3

Click to predict properties on the Chemicalize site


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