ChemSpider 2D Image | 4-[(2S,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol | C20H22O5

4-[(2S,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID28288453

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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4-[(2S,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(2S,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(2S,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-diméthyltétrahydro-2-furanyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 4-[(2S,3S,4R,5R)-5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxy- [ACD/Index Name]
(+)-machilin F
114488-90-3 [RN]
Phenol,4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxy-,rel-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 483.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 246.4±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.09
ACD/KOC (pH 5.5): 1664.37
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.41
ACD/KOC (pH 7.4): 1659.28
Polar Surface Area: 57 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

Click to predict properties on the Chemicalize site


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