ChemSpider 2D Image | Alanyl-L-alanine | C6H12N2O3

Alanyl-L-alanine

  • Molecular FormulaC6H12N2O3
  • Average mass160.171 Da
  • Monoisotopic mass160.084793 Da
  • ChemSpider ID24589535

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

59247-16-4 [RN]
Alanyl-L-alanin [German] [ACD/IUPAC Name]
Alanyl-L-alanine [ACD/IUPAC Name]
Alanyl-L-alanine [French] [ACD/IUPAC Name]
DL-Alanyl-L-alanine
L-Alanine, alanyl- [ACD/Index Name]
(2S)-2-(2-Aminopropanamido)propanoic acid
(2S)-2-(2-aminopropanoylamino)propanoic acid
[59247-16-4] [RN]
MFCD00070560

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 402.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.7±6.0 kJ/mol
    Flash Point: 197.3±24.6 °C
    Index of Refraction: 1.492
    Molar Refractivity: 38.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.16
    ACD/LogD (pH 5.5): -3.45
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 15.3±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 132.6±3.0 cm3

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