ChemSpider 2D Image | Methyl (3S)-L-(2,3-~2~H_2_)leucinate | C7H13D2NO2

Methyl (3S)-L-(2,3-2H2)leucinate

  • Molecular FormulaC7H13D2NO2
  • Average mass147.212 Da
  • Monoisotopic mass147.122833 Da
  • ChemSpider ID29322530

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-L-(2,3-2H2)Leucinate de méthyle [French] [ACD/IUPAC Name]
L-Leucine-2,3-d2, methyl ester, (3S)- [ACD/Index Name]
Methyl (3S)-L-(2,3-2H2)leucinate [ACD/IUPAC Name]
Methyl-(3S)-L-(2,3-2H2)leucinat [German] [ACD/IUPAC Name]
(2S,3S)-2-Amino-2,3-dideuterio-4-methylpentanoic acid methyl ester

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): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.13
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

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