ChemSpider 2D Image | Allyl 1-[(3R)-3-(allyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-L-prolyl-L-phenylalaninate | C29H41N3O6

Allyl 1-[(3R)-3-(allyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-L-prolyl-L-phenylalaninate

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID9516446

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(3R)-3-(Allyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-L-prolyl-L-phénylalaninate d'allyle [French] [ACD/IUPAC Name]
Allyl 1-[(3R)-3-(allyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-L-prolyl-L-phenylalaninate [ACD/IUPAC Name]
Allyl-1-[(3R)-3-(allyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-L-prolyl-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, 1-[(3R)-3-[[(1,1-dimethylethoxy)carbonyl]-2-propen-1-ylamino]-1-oxobutyl]-L-prolyl-, 2-propen-1-yl ester [ACD/Index 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: 694.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.8±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2159.85
ACD/KOC (pH 5.5): 8479.64
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2159.85
ACD/KOC (pH 7.4): 8479.63
Polar Surface Area: 105 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 464.6±3.0 cm3

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