ChemSpider 2D Image | (2S,3R)-2-Ethyl-4-hydroxy-3-{[1-(~2~H_3_)methyl-1H-imidazol-5-yl]methyl}butanoic acid | C11H15D3N2O3

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

  • Molecular FormulaC11H15D3N2O3
  • Average mass229.291 Da
  • Monoisotopic mass229.150574 Da
  • ChemSpider ID107448278

  • 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

(2S,3R)-2-Ethyl-4-hydroxy-3-{[1-(2H3)methyl-1H-imidazol-5-yl]methyl}butanoic acid [ACD/IUPAC Name]
(2S,3R)-2-Ethyl-4-hydroxy-3-{[1-(2H3)methyl-1H-imidazol-5-yl]methyl}butansäure [German] [ACD/IUPAC Name]
1H-Imidazole-5-butanoic acid, α-ethyl-β-(hydroxymethyl)-1-(methyl-d3)-, (αS,βR)- [ACD/Index Name]
Acide (2S,3R)-2-éthyl-4-hydroxy-3-{[1-(2H3)méthyl-1H-imidazol-5-yl]méthyl}butanoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 244.9±25.9 °C
Index of Refraction: 1.554
Molar Refractivity: 59.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 186.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement