ChemSpider 2D Image | [(1aR,1bR,2R,5aS,6R,6aR)-2-(beta-L-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-(3,4-dimethoxyphenyl)acrylate | C26H32O13

[(1aR,1bR,2R,5aS,6R,6aR)-2-(β-L-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-(3,4-dimethoxyphenyl)acrylate

  • Molecular FormulaC26H32O13
  • Average mass552.524 Da
  • Monoisotopic mass552.184265 Da
  • ChemSpider ID103748971

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2E)-3-(3,4-Diméthoxyphényl)acrylate de [(1aR,1bR,2R,5aS,6R,6aR)-2-(β-L-glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tétrahydrooxiréno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]méthyle [French] [ACD/IUPAC Name]
[(1aR,1bR,2R,5aS,6R,6aR)-2-(β-L-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-(3,4-dimethoxyphenyl)acrylate [ACD/IUPAC Name]
[(1aR,1bR,2R,5aS,6R,6aR)-2-(β-L-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl-(2E)-3-(3,4-dimethoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, [(1aR,1bR,2R,5aS,6R,6aR)-2-(β-L-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl ester, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 821.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 274.8±27.8 °C
Index of Refraction: 1.649
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.17
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.17
Polar Surface Area: 186 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 78.3±5.0 dyne/cm
Molar Volume: 358.8±5.0 cm3

Click to predict properties on the Chemicalize site


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