ChemSpider 2D Image | Ethyl (2-{6-[(1R,3S)-1-hydroxy-7,8-dimethoxy-3,4-dihydro-1H-isochromen-3-yl]-1,3-benzodioxol-5-yl}ethyl)methylcarbamate | C24H29NO8

Ethyl (2-{6-[(1R,3S)-1-hydroxy-7,8-dimethoxy-3,4-dihydro-1H-isochromen-3-yl]-1,3-benzodioxol-5-yl}ethyl)methylcarbamate

  • Molecular FormulaC24H29NO8
  • Average mass459.489 Da
  • Monoisotopic mass459.189331 Da
  • ChemSpider ID62513782

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2-{6-[(1R,3S)-1-Hydroxy-7,8-diméthoxy-3,4-dihydro-1H-isochromén-3-yl]-1,3-benzodioxol-5-yl}éthyl)méthylcarbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-[6-[(1R,3S)-3,4-dihydro-1-hydroxy-7,8-dimethoxy-1H-2-benzopyran-3-yl]-1,3-benzodioxol-5-yl]ethyl]-N-methyl-, ethyl ester [ACD/Index Name]
Ethyl (2-{6-[(1R,3S)-1-hydroxy-7,8-dimethoxy-3,4-dihydro-1H-isochromen-3-yl]-1,3-benzodioxol-5-yl}ethyl)methylcarbamate [ACD/IUPAC Name]
Ethyl-(2-{6-[(1R,3S)-1-hydroxy-7,8-dimethoxy-3,4-dihydro-1H-isochromen-3-yl]-1,3-benzodioxol-5-yl}ethyl)methylcarbamat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.6±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.49
ACD/KOC (pH 5.5): 936.73
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.49
ACD/KOC (pH 7.4): 936.71
Polar Surface Area: 96 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 357.2±3.0 cm3

Click to predict properties on the Chemicalize site


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