ChemSpider 2D Image | Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-O-benzyl-L-seryl-L-leucinate | C34H49N3O7

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-O-benzyl-L-seryl-L-leucinate

  • Molecular FormulaC34H49N3O7
  • Average mass611.769 Da
  • Monoisotopic mass611.357056 Da
  • ChemSpider ID9976554

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-O-benzyl-L-seryl-L-leucinate [ACD/IUPAC Name]
Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-O-benzyl-L-seryl-L-leucinat [German] [ACD/IUPAC Name]
L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-O-(phenylmethyl)-L-seryl-, phenylmethyl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-leucyl-O-benzyl-L-séryl-L-leucinate de benzyle [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: 765.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 416.7±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 168.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7493.40
ACD/KOC (pH 5.5): 20657.86
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7491.46
ACD/KOC (pH 7.4): 20652.54
Polar Surface Area: 132 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 549.0±3.0 cm3

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