ChemSpider 2D Image | AC-MET(O)-OH | C7H13NO4S

AC-MET(O)-OH

  • Molecular FormulaC7H13NO4S
  • Average mass207.247 Da
  • Monoisotopic mass207.056534 Da
  • ChemSpider ID19354090

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-Acetamido-4-(methylsulfinyl)butanoic acid [ACD/IUPAC Name]
(2S)-2-Acetamido-4-(methylsulfinyl)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-acétamido-4-(méthylsulfinyl)butanoïque [French] [ACD/IUPAC Name]
AC-MET(O)-OH
Butanoic acid, 2-(acetylamino)-4-(methylsulfinyl)-, (2S)- [ACD/Index Name]
MFCD00236766
(2s)-2-(acetylamino)-4-(methylsulfinyl)butanoic acid
(2S)-2-acetamido-4-methylsulfinylbutanoic acid
[108646-71-5] [RN]
108646-71-5 [RN]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 587.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 95.8±6.0 kJ/mol
    Flash Point: 309.0±28.7 °C
    Index of Refraction: 1.540
    Molar Refractivity: 48.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -2.01
    ACD/LogD (pH 5.5): -4.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 103 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 62.1±3.0 dyne/cm
    Molar Volume: 154.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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