ChemSpider 2D Image | Dimethyl (2S,2'S)-2,2'-([(4S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis{[(2S)-2-(benzylamino)-1-oxo-2,1-ethanediyl]imino})bis(3-phenylpropanoate) | C43H50N4O8

Dimethyl (2S,2'S)-2,2'-([(4S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis{[(2S)-2-(benzylamino)-1-oxo-2,1-ethanediyl]imino})bis(3-phenylpropanoate)

  • Molecular FormulaC43H50N4O8
  • Average mass750.879 Da
  • Monoisotopic mass750.362854 Da
  • ChemSpider ID8994159
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(2S,2'S)-2,2'-([(4S)-2,2-Diméthyl-1,3-dioxolane-4,5-diyl]bis{[(2S)-2-(benzylamino)-1-oxo-2,1-éthanediyl]imino})bis(3-phénylpropanoate) de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (2S,2'S)-2,2'-([(4S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis{[(2S)-2-(benzylamino)-1-oxo-2,1-ethanediyl]imino})bis(3-phenylpropanoate) [ACD/IUPAC Name]
Dimethyl-(2S,2'S)-2,2'-([(4S)-2,2-dimethyl-1,3-dioxolan-4,5-diyl]bis{[(2S)-2-(benzylamino)-1-oxo-2,1-ethandiyl]imino})bis(3-phenylpropanoat) [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 885.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 489.0±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 207.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 8.70
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 19844.38
ACD/KOC (pH 5.5): 27674.42
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80306.34
ACD/KOC (pH 7.4): 111993.03
Polar Surface Area: 153 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 625.5±3.0 cm3

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