ChemSpider 2D Image | N-Acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]-L-alanine | C8H14N2O5S

N-Acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]-L-alanine

  • Molecular FormulaC8H14N2O5S
  • Average mass250.272 Da
  • Monoisotopic mass250.062347 Da
  • ChemSpider ID48059533

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Alanine, N-acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]- [ACD/Index Name]
N-Acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]-L-alanin [German] [ACD/IUPAC Name]
N-Acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]-L-alanine [ACD/IUPAC Name]
N-Acétyl-3-[(3-amino-3-oxopropyl)sulfinyl]-L-alanine [French] [ACD/IUPAC Name]
(2R)-2-acetamido-3-((3-amino-3-oxopropyl)sulfinyl)propanoic acid
(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid
861959-88-8 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.5±0.1 g/cm3
    Boiling Point: 760.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.5 mmHg at 25°C
    Enthalpy of Vaporization: 120.4±6.0 kJ/mol
    Flash Point: 413.5±32.9 °C
    Index of Refraction: 1.574
    Molar Refractivity: 56.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: -2.92
    ACD/LogD (pH 5.5): -5.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -6.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 146 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 76.2±3.0 dyne/cm
    Molar Volume: 171.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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