ChemSpider 2D Image | N-(2,5-Dimethyl-3-furoyl)-L-isoleucine | C13H19NO4

N-(2,5-Dimethyl-3-furoyl)-L-isoleucine

  • Molecular FormulaC13H19NO4
  • Average mass253.294 Da
  • Monoisotopic mass253.131409 Da
  • ChemSpider ID32326152

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Isoleucine, N-[(2,5-dimethyl-3-furanyl)carbonyl]- [ACD/Index Name]
N-(2,5-Dimethyl-3-furoyl)-L-isoleucin [German] [ACD/IUPAC Name]
N-(2,5-Dimethyl-3-furoyl)-L-isoleucine [ACD/IUPAC Name]
N-(2,5-Diméthyl-3-furoyl)-L-isoleucine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 391.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 190.3±27.9 °C
Index of Refraction: 1.508
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.44
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 223.0±3.0 cm3

Click to predict properties on the Chemicalize site


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