ChemSpider 2D Image | 4-[(2S,3R,4R,5S)-5-(4-{[1-(1,3-Benzodioxol-5-yl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol | C30H34O8

4-[(2S,3R,4R,5S)-5-(4-{[1-(1,3-Benzodioxol-5-yl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol

  • Molecular FormulaC30H34O8
  • Average mass522.586 Da
  • Monoisotopic mass522.225342 Da
  • ChemSpider ID34547313

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

1,3-Benzodioxole-5-methanol, α-[1-[2-methoxy-4-[(2S,3R,4R,5S)-tetrahydro-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyl-2-furanyl]phenoxy]ethyl]- [ACD/Index Name]
4-[(2S,3R,4R,5S)-5-(4-{[1-(1,3-Benzodioxol-5-yl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(2S,3R,4R,5S)-5-(4-{[1-(1,3-Benzodioxol-5-yl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(2S,3R,4R,5S)-5-(4-{[1-(1,3-Benzodioxol-5-yl)-1-hydroxy-2-propanyl]oxy}-3-méthoxyphényl)-3,4-diméthyltétrahydro-2-furanyl]-2-méthoxyphénol [French] [ACD/IUPAC 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: 682.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.6±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 869.09
ACD/KOC (pH 5.5): 4419.55
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 866.43
ACD/KOC (pH 7.4): 4406.02
Polar Surface Area: 96 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 422.1±3.0 cm3

Click to predict properties on the Chemicalize site


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