ChemSpider 2D Image | 2-Methyl-2-propanyl N-{(2S)-2-[(2S,4S)-2-(2-methyl-2-propanyl)-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-oxo-1,3-dioxolan-4-yl]-3-butenoyl}-L-phenylalaninate | C30H43NO8

2-Methyl-2-propanyl N-{(2S)-2-[(2S,4S)-2-(2-methyl-2-propanyl)-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-oxo-1,3-dioxolan-4-yl]-3-butenoyl}-L-phenylalaninate

  • Molecular FormulaC30H43NO8
  • Average mass545.664 Da
  • Monoisotopic mass545.298889 Da
  • ChemSpider ID10024467

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-{(2S)-2-[(2S,4S)-2-(2-methyl-2-propanyl)-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-oxo-1,3-dioxolan-4-yl]-3-butenoyl}-L-phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{(2S)-2-[(2S,4S)-2-(2-methyl-2-propanyl)-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-oxo-1,3-dioxolan-4-yl]-3-butenoyl}-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, N-[(2S)-2-[(2S,4S)-4-[2-(1,1-dimethylethoxy)-2-oxoethyl]-2-(1,1-dimethylethyl)-5-oxo-1,3-dioxolan-4-yl]-1-oxo-3-buten-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{(2S)-2-[(2S,4S)-2-(2-Méthyl-2-propanyl)-4-{2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}-5-oxo-1,3-dioxolan-4-yl]-3-butenoyl}-L-phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.1±31.5 °C
Index of Refraction: 1.506
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3891.67
ACD/KOC (pH 5.5): 12924.48
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3891.66
ACD/KOC (pH 7.4): 12924.46
Polar Surface Area: 117 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 488.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement