ChemSpider 2D Image | (1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-(4-{(2R,3S)-3-(hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenoxy)-1,3-propanediol | C31H36O11

(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-(4-{(2R,3S)-3-(hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenoxy)-1,3-propanediol

  • Molecular FormulaC31H36O11
  • Average mass584.611 Da
  • Monoisotopic mass584.225769 Da
  • ChemSpider ID9181600

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-(4-{(2R,3S)-3-(hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenoxy)-1,3-propandiol [German] [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-(4-{(2R,3S)-3-(hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenoxy)-1,3-propanediol [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxy-3-méthoxyphényl)-2-(4-{(2R,3S)-3-(hydroxyméthyl)-5-[(1E)-3-hydroxy-1-propén-1-yl]-7-méthoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-diméthoxyphénoxy)-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 2-[4-[(2R,3S)-2,3-dihydro-3-(hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2-benzofuranyl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)-, (1S,2R)- [ACD/Index Name]
(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-[4-[(2R,3S)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol
613684-55-2 [RN]
erythro-Guaiacylglycerol-β-O-4'-dehydrodisinapyl ether
erythro-Guaiacylglycerol-β-O-4'-dehydrodisinapyl ether

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

Density: 1.3±0.1 g/cm3
Boiling Point: 822.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 450.9±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 155.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.66
ACD/KOC (pH 5.5): 149.54
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.64
ACD/KOC (pH 7.4): 149.11
Polar Surface Area: 157 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 439.1±3.0 cm3

Click to predict properties on the Chemicalize site


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