ChemSpider 2D Image | N-[(3R)-3-(4-Ethylphenyl)butanoyl]-beta-D-glucopyranosylamine | C18H27NO6

N-[(3R)-3-(4-Ethylphenyl)butanoyl]-β-D-glucopyranosylamine

  • Molecular FormulaC18H27NO6
  • Average mass353.410 Da
  • Monoisotopic mass353.183838 Da
  • ChemSpider ID35034757
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

N-[(3R)-3-(4-Ethylphenyl)butanoyl]-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-[(3R)-3-(4-Ethylphenyl)butanoyl]-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-[(3R)-3-(4-Éthylphényl)butanoyl]-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[(3R)-3-(4-ethylphenyl)-1-oxobutyl]- [ACD/Index Name]
26W

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.8±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 46.08
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 46.08
Polar Surface Area: 119 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 271.4±5.0 cm3

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