ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,4R)-2-butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-formyl-4-biphenylyl)hexanoate | C35H50N2O5

2-Methyl-2-propanyl (2S,4R)-2-butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-formyl-4-biphenylyl)hexanoate

  • Molecular FormulaC35H50N2O5
  • Average mass578.782 Da
  • Monoisotopic mass578.371948 Da
  • ChemSpider ID8873777

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4R)-2-Butyl-4-{[(2S)-3,3-diméthyl-1-(méthylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-formyl-4-biphénylyl)hexanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-hexanoic acid, α-butyl-γ-[[[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]amino]carbonyl]-4'-formyl-, 1,1-dimethylethyl ester, (αS,γR)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,4R)-2-butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-formyl-4-biphenylyl)hexanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,4R)-2-butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-formyl-4-biphenylyl)hexanoat [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: 763.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.7±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 168.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74086.25
ACD/KOC (pH 5.5): 106497.27
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 74086.34
ACD/KOC (pH 7.4): 106497.39
Polar Surface Area: 102 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 545.9±3.0 cm3

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