ChemSpider 2D Image | Benzyl 1-{5-(benzoylamino)-6-[4-(benzyloxy)phenyl]-4-oxohexanoyl}-L-prolinate | C38H38N2O6

Benzyl 1-{5-(benzoylamino)-6-[4-(benzyloxy)phenyl]-4-oxohexanoyl}-L-prolinate

  • Molecular FormulaC38H38N2O6
  • Average mass618.718 Da
  • Monoisotopic mass618.273010 Da
  • ChemSpider ID23241237

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-{5-(Benzoylamino)-6-[4-(benzyloxy)phényl]-4-oxohexanoyl}-L-prolinate de benzyle [French] [ACD/IUPAC Name]
Benzyl 1-{5-(benzoylamino)-6-[4-(benzyloxy)phenyl]-4-oxohexanoyl}-L-prolinate [ACD/IUPAC Name]
Benzyl-1-{5-(benzoylamino)-6-[4-(benzyloxy)phenyl]-4-oxohexanoyl}-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, 1-[5-(benzoylamino)-1,4-dioxo-6-[4-(phenylmethoxy)phenyl]hexyl]-, phenylmethyl ester [ACD/Index Name]
1-[5-Benzoylamino-6-(4-benzyloxy-phenyl)-4-oxo-hexanoyl]-pyrrolidine-2-carboxylic acid benzyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 836.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 459.9±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 174.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13003.65
ACD/KOC (pH 5.5): 30650.38
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13003.62
ACD/KOC (pH 7.4): 30650.31
Polar Surface Area: 102 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 503.0±3.0 cm3

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