ChemSpider 2D Image | MMB022 | C20H26N2O3

MMB022

  • Molecular FormulaC20H26N2O3
  • Average mass342.432 Da
  • Monoisotopic mass342.194336 Da
  • ChemSpider ID71117172

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-[[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
MMB022
N-{[1-(4-Pentén-1-yl)-1H-indol-3-yl]carbonyl}-L-valinate de méthyle [French] [ACD/IUPAC Name]
2659308-31-1 [RN]
methyl (1-(pent-4-en-1-yl)-1H-indole-3-carbonyl)-L-valinate
methyl(1-(pent-4-en-1-yl)-1H-indole-3-carbonyl)-L-valinate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 537.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.7±27.3 °C
Index of Refraction: 1.550
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 257.61
ACD/KOC (pH 5.5): 1850.86
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 257.61
ACD/KOC (pH 7.4): 1850.86
Polar Surface Area: 60 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 310.6±7.0 cm3

Click to predict properties on the Chemicalize site


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