ChemSpider 2D Image | (2S,3S)-2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-3-chromanol | C18H18O6

(2S,3S)-2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-3-chromanol

  • Molecular FormulaC18H18O6
  • Average mass330.332 Da
  • Monoisotopic mass330.110352 Da
  • ChemSpider ID32788474

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-3-chromanol [German] [ACD/IUPAC Name]
(2S,3S)-2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-3-chromanol [ACD/IUPAC Name]
(2S,3S)-2-(1,3-Benzodioxol-5-yl)-5,7-diméthoxy-3-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-ol, 2-(1,3-benzodioxol-5-yl)-3,4-dihydro-5,7-dimethoxy-, (2S,3S)- [ACD/Index Name]
87562-72-9 [RN]
rel-(2R,3R)-2-(1,3-Benzodioxol-5-yl)-3,4-dihydro-5,7-dimethoxy-2H-1-benzopyran-3-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 518.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 85.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.92
ACD/KOC (pH 5.5): 571.77
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.92
ACD/KOC (pH 7.4): 571.77
Polar Surface Area: 66 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 247.7±3.0 cm3

Click to predict properties on the Chemicalize site


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