ChemSpider 2D Image | 2-{[(1R,2R)-1-(3,4-Dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-5-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]phenol | C41H50O11

2-{[(1R,2R)-1-(3,4-Dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-5-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]phenol

  • Molecular FormulaC41H50O11
  • Average mass718.829 Da
  • Monoisotopic mass718.335327 Da
  • ChemSpider ID28504267

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-{[(1R,2R)-1-(3,4-Dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-5-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]phenol [German] [ACD/IUPAC Name]
2-{[(1R,2R)-1-(3,4-Dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-5-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]phenol [ACD/IUPAC Name]
2-{[(1R,2R)-1-(3,4-Diméthoxyphényl)-1-hydroxy-2-propanyl]oxy}-5-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-diméthoxyphényl)-1-hydroxy-2-propanyl]oxy}-3-méthoxyphényl)-3,4-diméthyltétrahydro-2-furanyl]phénol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1R)-1-[4-[(2S,3R,4R,5S)-5-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)-2-hydroxy-1-methylethyl]oxy]-3-hydroxyphenyl]tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenoxy]ethyl]-3,4-dime thoxy-, (αR)- [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: 849.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 467.7±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 197.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1522.93
ACD/KOC (pH 5.5): 6602.91
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1498.98
ACD/KOC (pH 7.4): 6499.08
Polar Surface Area: 135 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 599.2±3.0 cm3

Click to predict properties on the Chemicalize site


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