ChemSpider 2D Image | (3R,4S)-3-Ethyl-4-{[1-(~2~H_3_)methyl-1H-imidazol-5-yl]methyl}dihydro-2(3H)-furanone | C11H13D3N2O2

(3R,4S)-3-Ethyl-4-{[1-(2H3)methyl-1H-imidazol-5-yl]methyl}dihydro-2(3H)-furanone

  • Molecular FormulaC11H13D3N2O2
  • Average mass211.275 Da
  • Monoisotopic mass211.140015 Da
  • ChemSpider ID78362015
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3R,4S)-3-Ethyl-4-{[1-(2H3)methyl-1H-imidazol-5-yl]methyl}dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3R,4S)-3-Ethyl-4-{[1-(2H3)methyl-1H-imidazol-5-yl]methyl}dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3R,4S)-3-Éthyl-4-{[1-(2H3)méthyl-1H-imidazol-5-yl]méthyl}dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 3-ethyldihydro-4-[[1-(methyl-d3)-1H-imidazol-5-yl]methyl]-, (3R,4S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 431.8±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.0±21.2 °C
Index of Refraction: 1.585
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.60
Polar Surface Area: 44 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 170.2±7.0 cm3

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