ChemSpider 2D Image | (1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol | C17H20O6

(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol

  • Molecular FormulaC17H20O6
  • Average mass320.337 Da
  • Monoisotopic mass320.125977 Da
  • ChemSpider ID58837283

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propandiol [German] [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxy-3-méthoxyphényl)-2-(2-méthoxyphénoxy)-1,3-propanediol [French] [ACD/IUPAC Name]
(1s,2r)-1-(4-Hydroxy-3-Methoxyphenyl)-2-(2-Methoxyphenoxy)propane-1,3-Diol
1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-, (1S,2R)- [ACD/Index Name]
(-)-(&α;<i&gt;S</i>,&β;<i>R</i&gt;)-GGE
(-)-(&α;<i&gt;S</i>,&β;<i>R</i&gt;)-guaiacylglycerol-&β;-guaiacyl ether
GGE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 553.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.44
ACD/KOC (pH 5.5): 101.23
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.43
ACD/KOC (pH 7.4): 100.95
Polar Surface Area: 88 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 249.7±3.0 cm3

Click to predict properties on the Chemicalize site


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