ChemSpider 2D Image | (2R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxy-4,1-phenylene)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanone] | C42H48O11

(2R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxy-4,1-phenylene)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanone]

  • Molecular FormulaC42H48O11
  • Average mass728.824 Da
  • Monoisotopic mass728.319641 Da
  • ChemSpider ID13081279

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxy-4,1-phenylen)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanon] [German] [ACD/IUPAC Name]
(2R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxy-4,1-phenylene)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanone] [ACD/IUPAC Name]
(2R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Diméthyltétrahydrofurane-2,5-diyl]bis[(2-méthoxy-4,1-phénylène)oxy]}bis[1-(3,4-diméthoxyphényl)-1-propanone] [French] [ACD/IUPAC Name]
1-Propanone, 2,2'-[[(2S,3R,4R,5S)-tetrahydro-3,4-dimethyl-2,5-furandiyl]bis[(2-methoxy-4,1-phenylene)oxy]]bis[1-(3,4-dimethoxyphenyl)-, (2R,2'R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 829.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 331.1±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 200.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14806.28
ACD/KOC (pH 5.5): 33635.12
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14806.28
ACD/KOC (pH 7.4): 33635.12
Polar Surface Area: 117 Å2
Polarizability: 79.4±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 625.7±3.0 cm3

Click to predict properties on the Chemicalize site


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