ChemSpider 2D Image | O-Methylthreonine | C5H11NO3

O-Methylthreonine

  • Molecular FormulaC5H11NO3
  • Average mass133.146 Da
  • Monoisotopic mass133.073898 Da
  • ChemSpider ID23345677

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-Amino-3-methoxybutanoic acid
(2R,3R)-2-Amino-3-methyloxybutanoic acid
104195-79-1 [RN]
D-allothreonine, O-methyl-
O-Methyl-D-allothreonine
O-Methyl-D-threonine [ACD/IUPAC Name]
O-Methylthreonin [German] [ACD/IUPAC Name]
O-Methylthreonine [ACD/IUPAC Name]
O-Méthylthréonine [French] [ACD/IUPAC Name]
Threonine, O-methyl- [ACD/Index Name]
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 248.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 53.4±6.0 kJ/mol
    Flash Point: 103.8±24.6 °C
    Index of Refraction: 1.461
    Molar Refractivity: 32.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.01
    ACD/LogD (pH 5.5): -2.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 73 Å2
    Polarizability: 12.7±0.5 10-24cm3
    Surface Tension: 41.9±3.0 dyne/cm
    Molar Volume: 116.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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