ChemSpider 2D Image | (2S,4aR,6R,7R,8S,8aR)-7-Hydroxy-6-(hydroxymethyl)-2-phenylhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-8-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate (non-preferred name) | C23H24O9

(2S,4aR,6R,7R,8S,8aR)-7-Hydroxy-6-(hydroxymethyl)-2-phenylhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-8-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate (non-preferred name)

  • Molecular FormulaC23H24O9
  • Average mass444.431 Da
  • Monoisotopic mass444.142029 Da
  • ChemSpider ID58910549

  • 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,7R,8S,8aR)-7-hydroxy-6-(hydroxyméthyl)-2-phénylhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-8-yle (non-preferred name) [French] [ACD/IUPAC Name]
(2S,4aR,6R,7R,8S,8aR)-7-Hydroxy-6-(hydroxymethyl)-2-phenylhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-8-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate (non-preferred name) [ACD/IUPAC Name]
(2S,4aR,6R,7R,8S,8aR)-7-Hydroxy-6-(hydroxymethyl)-2-phenylhexahydro-4aH-pyrano[2,3-b][1,4]dioxin-8-yl-(2E)-3-(3,4-dihydroxyphenyl)acrylat (non-preferred name) [German] [ACD/IUPAC 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: 703.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 244.9±26.4 °C
Index of Refraction: 1.668
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.53
ACD/KOC (pH 5.5): 411.53
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 30.94
ACD/KOC (pH 7.4): 403.77
Polar Surface Area: 135 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 298.6±5.0 cm3

Click to predict properties on the Chemicalize site


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