ChemSpider 2D Image | N-[(2E)-3-(4-Isopropylphenyl)-2-propenoyl]-beta-D-glucopyranosylamine | C18H25NO6

N-[(2E)-3-(4-Isopropylphenyl)-2-propenoyl]-β-D-glucopyranosylamine

  • Molecular FormulaC18H25NO6
  • Average mass351.394 Da
  • Monoisotopic mass351.168182 Da
  • ChemSpider ID35034758

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(2E)-3-(4-Isopropylphenyl)-2-propenoyl]-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-[(2E)-3-(4-Isopropylphenyl)-2-propenoyl]-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-[(2E)-3-(4-Isopropylphényl)-2-propenoyl]-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
N-{(2e)-3-[4-(Propan-2-Yl)phenyl]prop-2-Enoyl}-β-D-Glucopyranosylamine
β-D-Glucopyranosylamine, N-[(2E)-3-[4-(1-methylethyl)phenyl]-1-oxo-2-propen-1-yl]- [ACD/Index 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: 640.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.1±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 39.79
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 39.79
Polar Surface Area: 119 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 264.8±5.0 cm3

Click to predict properties on the Chemicalize site


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