ChemSpider 2D Image | Allyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-3-(2-{[(3-sec-butyl-4-oxo-2-oxetanyl)carbonyl]amino}cyclopropyl)alaninate | C25H39N3O8

Allyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-3-(2-{[(3-sec-butyl-4-oxo-2-oxetanyl)carbonyl]amino}cyclopropyl)alaninate

  • Molecular FormulaC25H39N3O8
  • Average mass509.592 Da
  • Monoisotopic mass509.273712 Da
  • ChemSpider ID8024899

More details:

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

Alanine, N-[(1,1-dimethylethoxy)carbonyl]alanyl-3-[2-[[[3-(1-methylpropyl)-4-oxo-2-oxetanyl]carbonyl]amino]cyclopropyl]-, 2-propen-1-yl ester [ACD/Index Name]
Allyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-3-(2-{[(3-sec-butyl-4-oxo-2-oxetanyl)carbonyl]amino}cyclopropyl)alaninate [ACD/IUPAC Name]
Allyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-3-(2-{[(3-sec-butyl-4-oxo-2-oxetanyl)carbonyl]amino}cyclopropyl)alaninat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}alanyl-3-(2-{[(3-sec-butyl-4-oxo-2-oxétanyl)carbonyl]amino}cyclopropyl)alaninate d'allyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.6±32.9 °C
Index of Refraction: 1.523
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.90
ACD/KOC (pH 5.5): 166.39
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.90
ACD/KOC (pH 7.4): 166.35
Polar Surface Area: 149 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 425.6±5.0 cm3

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