ChemSpider 2D Image | Methyl D-isoleucinate | C7H15NO2

Methyl D-isoleucinate

  • Molecular FormulaC7H15NO2
  • Average mass145.199 Da
  • Monoisotopic mass145.110275 Da
  • ChemSpider ID32973138

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

D-Isoleucinate de méthyle [French] [ACD/IUPAC Name]
D-Isoleucine, methyl ester [ACD/Index Name]
Methyl D-isoleucinate [ACD/IUPAC Name]
Methyl-D-isoleucinat [German] [ACD/IUPAC Name]
2577-46-0 [RN]
MFCD19213469

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

Density: 1.0±0.1 g/cm3
Boiling Point: 169.2±13.0 °C at 760 mmHg
Vapour Pressure: 1.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 42.7±17.4 °C
Index of Refraction: 1.436
Molar Refractivity: 39.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.37
Polar Surface Area: 52 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 152.0±3.0 cm3

Click to predict properties on the Chemicalize site


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