ChemSpider 2D Image | Ethyl 4-[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-1-piperazinecarboxylate | C22H35N3O5

Ethyl 4-[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-1-piperazinecarboxylate

  • Molecular FormulaC22H35N3O5
  • Average mass421.530 Da
  • Monoisotopic mass421.257660 Da
  • ChemSpider ID30259656

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-, ethyl ester [ACD/Index Name]
4-[(2S,3S)-2-Hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-1-piperazincarboxylat [German] [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: 575.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 301.9±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 38.89
ACD/KOC (pH 5.5): 309.48
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 171.89
ACD/KOC (pH 7.4): 1367.98
Polar Surface Area: 91 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 367.1±3.0 cm3

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