ChemSpider 2D Image | [(2S,4aR,6R,7S,8S,8aR)-2-(3,4-Dihydroxyphenyl)-7,8-dihydroxyhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate | C23H24O11

[(2S,4aR,6R,7S,8S,8aR)-2-(3,4-Dihydroxyphenyl)-7,8-dihydroxyhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate

  • Molecular FormulaC23H24O11
  • Average mass476.430 Da
  • Monoisotopic mass476.131866 Da
  • ChemSpider ID23283190

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-3-(3,4-Dihydroxyphényl)acrylate de [(2S,4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphényl)-7,8-dihydroxyhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-6-yl]méthyle [French] [ACD/IUPAC Name]
[(2S,4aR,6R,7S,8S,8aR)-2-(3,4-Dihydroxyphenyl)-7,8-dihydroxyhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate [ACD/IUPAC Name]
[(2S,4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxyhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (non-preferred name)
[(2S,4aR,6R,7S,8S,8aR)-2-(3,4-Dihydroxyphenyl)-7,8-dihydroxyhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-6-yl]methyl-(2E)-3-(3,4-dihydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
plantasioside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 823.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.5±3.0 kJ/mol
Flash Point: 285.9±27.8 °C
Index of Refraction: 1.678
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.31
ACD/KOC (pH 5.5): 184.81
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.96
ACD/KOC (pH 7.4): 178.64
Polar Surface Area: 175 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 309.9±3.0 cm3

Click to predict properties on the Chemicalize site


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