ChemSpider 2D Image | (2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)dodecanoic acid | C17H33NO4

(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)dodecanoic acid

  • Molecular FormulaC17H33NO4
  • Average mass315.448 Da
  • Monoisotopic mass315.240967 Da
  • ChemSpider ID57425375

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)dodecanoic acid [ACD/IUPAC Name]
(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)dodecansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)dodécanoïque [French] [ACD/IUPAC Name]
Dodecanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)- [ACD/Index Name]
(2R)-2-(Boc-amino)dodecanoic acid
1821791-33-6 [RN]
Boc-D-Adod(2)-OH
N-α-(t-Butoxycarbonyl)-D-α-aminolauric acid

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 442.8±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.8±6.0 kJ/mol
    Flash Point: 221.6±24.0 °C
    Index of Refraction: 1.466
    Molar Refractivity: 87.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 5.88
    ACD/LogD (pH 5.5): 3.43
    ACD/BCF (pH 5.5): 83.58
    ACD/KOC (pH 5.5): 237.09
    ACD/LogD (pH 7.4): 1.87
    ACD/BCF (pH 7.4): 2.26
    ACD/KOC (pH 7.4): 6.40
    Polar Surface Area: 76 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 36.0±3.0 dyne/cm
    Molar Volume: 316.5±3.0 cm3

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