ChemSpider 2D Image | Boc-Glu-OcHex | C16H27NO6

Boc-Glu-OcHex

  • Molecular FormulaC16H27NO6
  • Average mass329.389 Da
  • Monoisotopic mass329.183838 Da
  • ChemSpider ID32780567

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-5-(Cyclohexyloxy)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid [ACD/IUPAC Name]
(4S)-5-(Cyclohexyloxy)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentansäure [German] [ACD/IUPAC Name]
137506-13-9 [RN]
Acide (4S)-5-(cyclohexyloxy)-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoïque [French] [ACD/IUPAC Name]
Boc-Glu-OcHex
L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-cyclohexyl ester [ACD/Index Name]
(4S)-4-[(tert-butoxycarbonyl)amino]-5-(cyclohexyloxy)-5-oxopentanoic acid
(4S)-4-{[(tert-butoxy)carbonyl]amino}-5-(cyclohexyloxy)-5-oxopentanoic acid
(4S)-5-cyclohexyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
(S)-4-((tert-Butoxycarbonyl)amino)-5-(cyclohexyloxy)-5-oxopentanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 502.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±6.0 kJ/mol
    Flash Point: 257.8±28.7 °C
    Index of Refraction: 1.498
    Molar Refractivity: 83.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.65
    ACD/LogD (pH 5.5): 2.23
    ACD/BCF (pH 5.5): 15.66
    ACD/KOC (pH 5.5): 118.85
    ACD/LogD (pH 7.4): 0.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.90
    Polar Surface Area: 102 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 45.2±5.0 dyne/cm
    Molar Volume: 283.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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