ChemSpider 2D Image | (2S)-2-({Hydroxy[(2-methyl-2-propanyl)oxy]methylene}amino)octanoic acid | C13H25NO4

(2S)-2-({Hydroxy[(2-methyl-2-propanyl)oxy]methylene}amino)octanoic acid

  • Molecular FormulaC13H25NO4
  • Average mass259.342 Da
  • Monoisotopic mass259.178345 Da
  • ChemSpider ID57264609

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-({Hydroxy[(2-methyl-2-propanyl)oxy]methylen}amino)octansäure [German] [ACD/IUPAC Name]
(2S)-2-({Hydroxy[(2-methyl-2-propanyl)oxy]methylene}amino)octanoic acid [ACD/IUPAC Name]
Acide (2S)-2-({hydroxy[(2-méthyl-2-propanyl)oxy]méthylène}amino)octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2-[[(1,1-dimethylethoxy)hydroxymethylene]amino]-, (2S)- [ACD/Index Name]
(2S)-2-[(tert-butoxycarbonyl)amino]octanoic acid
(2S)-2-{[(tert-butoxy)carbonyl]amino}octanoic acid
(S)-2-(Boc-amino)octanoic acid
(S)-2-[(T-BUTOXYCARBONYL)AMINO]-OCTANOIC ACID
92211-95-5 [RN]
Boc-Aoc(2)-OH
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 374.6±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 72.0±6.0 kJ/mol
    Flash Point: 180.4±28.4 °C
    Index of Refraction: 1.473
    Molar Refractivity: 69.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.23
    ACD/LogD (pH 5.5): 0.53
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.59
    ACD/LogD (pH 7.4): -0.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 79 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 34.2±7.0 dyne/cm
    Molar Volume: 246.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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