ChemSpider 2D Image | Methyl N-[(2S,3S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]-L-phenylalanyl-L-methioninate | C26H43N3O5S

Methyl N-[(2S,3S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]-L-phenylalanyl-L-methioninate

  • Molecular FormulaC26H43N3O5S
  • Average mass509.702 Da
  • Monoisotopic mass509.292328 Da
  • ChemSpider ID9014705

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Methionine, N-[(2S,3S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methylpentyl]-L-phenylalanyl-, methyl ester [ACD/Index Name]
Methyl N-[(2S,3S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]-L-phenylalanyl-L-methioninate [ACD/IUPAC Name]
Methyl-N-[(2S,3S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]-L-phenylalanyl-L-methioninat [German] [ACD/IUPAC Name]
N-[(2S,3S)-3-Méthyl-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)pentyl]-L-phénylalanyl-L-méthioninate de méthyle [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: 668.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.519
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 254.72
ACD/KOC (pH 5.5): 925.80
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2510.57
ACD/KOC (pH 7.4): 9124.99
Polar Surface Area: 131 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 465.4±3.0 cm3

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