ChemSpider 2D Image | 4-[(1R,2R)-1-Hydroxy-2-{4-[(2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}propyl]-2-methoxyphenol | C30H36O8

4-[(1R,2R)-1-Hydroxy-2-{4-[(2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}propyl]-2-methoxyphenol

  • Molecular FormulaC30H36O8
  • Average mass524.602 Da
  • Monoisotopic mass524.241028 Da
  • ChemSpider ID31126537

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-[(1R,2R)-1-Hydroxy-2-{4-[(2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}propyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(1R,2R)-1-Hydroxy-2-{4-[(2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}propyl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(1R,2R)-1-Hydroxy-2-{4-[(2R,3R,4R,5S)-5-(4-hydroxy-3-méthoxyphényl)-3,4-diméthyltétrahydro-2-furanyl]-2-méthoxyphénoxy}propyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-hydroxy-3-methoxy-α-[(1R)-1-[2-methoxy-4-[(2R,3R,4R,5S)-tetrahydro-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyl-2-furanyl]phenoxy]ethyl]-, (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: 698.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.2±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 454.36
ACD/KOC (pH 5.5): 2778.18
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 451.79
ACD/KOC (pH 7.4): 2762.47
Polar Surface Area: 107 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 433.3±3.0 cm3

Click to predict properties on the Chemicalize site


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