ChemSpider 2D Image | (2S,4S,5S)-2-{5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-8-yl}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (2E)-3-(4-hydroxy -3-methoxyphenyl)acrylate | C36H36O17

(2S,4S,5S)-2-{5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-8-yl}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (2E)-3-(4-hydroxy -3-methoxyphenyl)acrylate

  • Molecular FormulaC36H36O17
  • Average mass740.661 Da
  • Monoisotopic mass740.195251 Da
  • ChemSpider ID24843310

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (2S,4S,5S)-2-{5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-6-[(2S,4S,5S)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]-4H-chromén-8-yl}-4,5-dihydroxy-6-(hydroxymét hyl)tétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
(2S,4S,5S)-2-{5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-8-yl}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (2E)-3-(4-hydroxy -3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(2S,4S,5S)-2-{5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-8-yl}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl-(2E)-3-(4-hydroxy -3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1041.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.6±3.0 kJ/mol
Flash Point: 326.9±27.8 °C
Index of Refraction: 1.765
Molar Refractivity: 177.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 96.27
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 115.8±5.0 dyne/cm
Molar Volume: 428.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement