ChemSpider 2D Image | (1R,2S)-1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol | C20H26O7

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

  • Molecular FormulaC20H26O7
  • Average mass378.416 Da
  • Monoisotopic mass378.167847 Da
  • ChemSpider ID71060676

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propandiol [German] [ACD/IUPAC Name]
(1R,2S)-1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol [ACD/IUPAC Name]
(1R,2S)-1-(4-Hydroxy-3-méthoxyphényl)-2-[4-(3-hydroxypropyl)-2-méthoxyphénoxy]-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-, (1R,2S)- [ACD/Index Name]
135820-77-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.7±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 68.96
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 68.77
Polar Surface Area: 109 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 296.6±3.0 cm3

Click to predict properties on the Chemicalize site


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