ChemSpider 2D Image | (4S)-5-[(2-Methyl-2-propanyl)oxy]-5-oxo-4-(palmitoylamino)pentanoic acid (non-preferred name) | C25H47NO5

(4S)-5-[(2-Methyl-2-propanyl)oxy]-5-oxo-4-(palmitoylamino)pentanoic acid (non-preferred name)

  • Molecular FormulaC25H47NO5
  • Average mass441.644 Da
  • Monoisotopic mass441.345428 Da
  • ChemSpider ID48062724

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-5-[(2-Methyl-2-propanyl)oxy]-5-oxo-4-(palmitoylamino)pentanoic acid (non-preferred name) [ACD/IUPAC Name]
(4S)-5-[(2-Methyl-2-propanyl)oxy]-5-oxo-4-(palmitoylamino)pentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (4S)-5-[(2-méthyl-2-propanyl)oxy]-5-oxo-4-(palmitoylamino)pentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
L-Glutamic acid, N-(1-oxohexadecyl)-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
(4S)-4-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
(S)-5-(tert-Butoxy)-5-oxo-4-palmitamidopentanoic acid
536721-25-2 [RN]
MFCD30489507
N-(1-Oxohexadecyl)-L-glutamic Acid tert-Butyl Ester
Pal-Glu-OtBu
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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: 591.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 96.3±6.0 kJ/mol
    Flash Point: 311.2±27.3 °C
    Index of Refraction: 1.472
    Molar Refractivity: 124.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 21
    #Rule of 5 Violations: 1
    ACD/LogP: 7.55
    ACD/LogD (pH 5.5): 6.55
    ACD/BCF (pH 5.5): 30122.63
    ACD/KOC (pH 5.5): 26629.18
    ACD/LogD (pH 7.4): 4.76
    ACD/BCF (pH 7.4): 480.72
    ACD/KOC (pH 7.4): 424.97
    Polar Surface Area: 93 Å2
    Polarizability: 49.5±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 445.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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