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

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

  • Molecular FormulaC25H47NO5
  • Average mass441.644 Da
  • Monoisotopic mass441.345428 Da
  • ChemSpider ID110805146

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-[(2-Methyl-2-propanyl)oxy]-5-oxo-2-(palmitoylamino)pentanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-5-[(2-Methyl-2-propanyl)oxy]-5-oxo-2-(palmitoylamino)pentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-5-[(2-méthyl-2-propanyl)oxy]-5-oxo-2-(palmitoylamino)pentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
L-Glutamic acid, N-(1-oxohexadecyl)-, 5-(1,1-dimethylethyl) ester [ACD/Index Name]
(2S)-5-(tert-butoxy)-2-hexadecanamido-5-oxopentanoic acid
536721-25-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 601.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 317.3±30.1 °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: 8.09
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 1684.29
ACD/KOC (pH 5.5): 1562.57
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 82.03
ACD/KOC (pH 7.4): 76.10
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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