ChemSpider 2D Image | 2-Methyl-2-propanyl [(4E)-6-{[(2R)-1-{[(2R)-1-(4-hydroxy-1-piperidinyl)-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-(2-naphthyl)-1-oxo-2-propanyl](methyl)amino}-2-methyl-6-oxo-4-hexen-2-yl]carbamate | C41H54N4O6

2-Methyl-2-propanyl [(4E)-6-{[(2R)-1-{[(2R)-1-(4-hydroxy-1-piperidinyl)-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-(2-naphthyl)-1-oxo-2-propanyl](methyl)amino}-2-methyl-6-oxo-4-hexen-2-yl]carbamate

  • Molecular FormulaC41H54N4O6
  • Average mass698.891 Da
  • Monoisotopic mass698.404358 Da
  • ChemSpider ID9116746

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4E)-6-{[(2R)-1-{[(2R)-1-(4-Hydroxy-1-pipéridinyl)-1-oxo-3-phényl-2-propanyl](méthyl)amino}-3-(2-naphtyl)-1-oxo-2-propanyl](méthyl)amino}-2-méthyl-6-oxo-4-hexén-2-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(4E)-6-{[(2R)-1-{[(2R)-1-(4-hydroxy-1-piperidinyl)-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-(2-naphthyl)-1-oxo-2-propanyl](methyl)amino}-2-methyl-6-oxo-4-hexen-2-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(4E)-6-{[(2R)-1-{[(2R)-1-(4-hydroxy-1-piperidinyl)-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-(2-naphthyl)-1-oxo-2-propanyl](methyl)amino}-2-methyl-6-oxo-4-hexen-2-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3E)-5-[[(1R)-2-[[(1R)-2-(4-hydroxy-1-piperidinyl)-2-oxo-1-(phenylmethyl)ethyl]methylamino]-1-(2-naphthalenylmethyl)-2-oxoethyl]methylamino]-1,1-dimethyl-5-oxo-3-penten-1-yl]-, 1,1-d imethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 899.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.0±3.0 kJ/mol
Flash Point: 497.9±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 200.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12183.14
ACD/KOC (pH 5.5): 29253.31
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12183.07
ACD/KOC (pH 7.4): 29253.15
Polar Surface Area: 119 Å2
Polarizability: 79.4±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 593.9±3.0 cm3

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