ChemSpider 2D Image | O-Benzyl-N-(2-pyrazinylcarbonyl)-L-allothreonyl-L-valyl-(4R)-4-(benzyloxy)-N-[(2S)-1-oxo-2-butanyl]-L-prolinamide | C37H46N6O7

O-Benzyl-N-(2-pyrazinylcarbonyl)-L-allothreonyl-L-valyl-(4R)-4-(benzyloxy)-N-[(2S)-1-oxo-2-butanyl]-L-prolinamide

  • Molecular FormulaC37H46N6O7
  • Average mass686.797 Da
  • Monoisotopic mass686.342773 Da
  • ChemSpider ID2276170

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Prolinamide, O-(phenylmethyl)-N-(2-pyrazinylcarbonyl)-L-allothreonyl-L-valyl-N-[(1S)-1-formylpropyl]-4-(phenylmethoxy)-, (4R)- [ACD/Index Name]
O-Benzyl-N-(2-pyrazinylcarbonyl)-L-allothreonyl-L-valyl-(4R)-4-(benzyloxy)-N-[(2S)-1-oxo-2-butanyl]-L-prolinamid [German] [ACD/IUPAC Name]
O-Benzyl-N-(2-pyrazinylcarbonyl)-L-allothreonyl-L-valyl-(4R)-4-(benzyloxy)-N-[(2S)-1-oxo-2-butanyl]-L-prolinamide [ACD/IUPAC Name]
O-Benzyl-N-(2-pyrazinylcarbonyl)-L-allothréonyl-L-valyl-(4R)-4-(benzyloxy)-N-[(2S)-1-oxo-2-butanyl]-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, O-(phenylmethyl)-N-(pyrazinylcarbonyl)-L-threonyl-L-valyl-N-[(1S)-1-formylpropyl]-4-(phenylmethoxy)-, (4R)-

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

AIDS170112 [DBID]
AIDS-170112 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 950.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.5±3.0 kJ/mol
Flash Point: 528.7±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 185.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.88
ACD/KOC (pH 5.5): 726.97
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.87
ACD/KOC (pH 7.4): 726.91
Polar Surface Area: 169 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 544.9±5.0 cm3

Click to predict properties on the Chemicalize site


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