ChemSpider 2D Image | (2S,3R,4S,5S,6R)-2-{5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-6-yl}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2 H-pyran-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)acrylate (non-preferred name) | C37H38O18

(2S,3R,4S,5S,6R)-2-{5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-6-yl}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2 H-pyran-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)acrylate (non-preferred name)

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID68896046

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-{5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-6-yl}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2 H-pyran-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)acrylate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-6-yl}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2 H-pyran-3-yl-(2Z)-3-(4-hydroxy-3-methoxyphenyl)acrylat (non-preferred name) [German] [ACD/IUPAC Name]
(2Z)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (2S,3R,4S,5S,6R)-2-{5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]-4H-chromén-6-y l}-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-3-yle (non-preferred name) [French] [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: 1076.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.4±3.0 kJ/mol
Flash Point: 334.8±27.8 °C
Index of Refraction: 1.767
Molar Refractivity: 183.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.27
ACD/KOC (pH 5.5): 67.13
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 119.1±5.0 dyne/cm
Molar Volume: 442.0±5.0 cm3

Click to predict properties on the Chemicalize site


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