ChemSpider 2D Image | (5S)-3-(1,3-Benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-(4-methoxyphenyl)-2(5H)-furanone | C25H20O6

(5S)-3-(1,3-Benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-(4-methoxyphenyl)-2(5H)-furanone

  • Molecular FormulaC25H20O6
  • Average mass416.423 Da
  • Monoisotopic mass416.125977 Da
  • ChemSpider ID57642488

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-3-(1,3-Benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-(4-methoxyphenyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-(1,3-Benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-(4-methoxyphenyl)-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-(1,3-Benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-(4-méthoxyphényl)-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(phenylmethyl)-, (5S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 234.5±25.0 °C
Index of Refraction: 1.663
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.79
ACD/KOC (pH 5.5): 1470.30
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.11
ACD/KOC (pH 7.4): 1441.39
Polar Surface Area: 74 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 302.8±3.0 cm3

Click to predict properties on the Chemicalize site


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