ChemSpider 2D Image | Methyl 1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-prolyl-L-prolyl-L-prolinate | C26H40N4O7

Methyl 1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-prolyl-L-prolyl-L-prolinate

  • Molecular FormulaC26H40N4O7
  • Average mass520.618 Da
  • Monoisotopic mass520.289673 Da
  • ChemSpider ID114970

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-prolyl-L-prolyl-L-prolinate de méthyle [French] [ACD/IUPAC Name]
L-Proline, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl-L-prolyl-L-prolyl-, methyl ester [ACD/Index Name]
Methyl 1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-prolyl-L-prolyl-L-prolinate [ACD/IUPAC Name]
Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-prolyl-L-prolyl-L-prolinat [German] [ACD/IUPAC Name]
1-(1-(1-(1-((1,1-Dimethylethoxy)carbonyl)-D-prolyl)-L-prolyl)-D-prolyl)-L-proline methyl ester
107500-78-7 [RN]
L-Proline, 1-(1-(1-(1-((1,1-dimethylethoxy)carbonyl)-D-prolyl)-L-prolyl)-D-prolyl)-, methyl ester
tert-butyloxycarbonylprolyl-prolyl-prolyl-proline methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.9±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 131.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 52.31
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 52.31
Polar Surface Area: 117 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 405.8±3.0 cm3

Click to predict properties on the Chemicalize site


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