ChemSpider 2D Image | Benzyl N-{[(2S,3S)-3-(benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinate | C29H35N3O6

Benzyl N-{[(2S,3S)-3-(benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinate

  • Molecular FormulaC29H35N3O6
  • Average mass521.605 Da
  • Monoisotopic mass521.252563 Da
  • ChemSpider ID25056580

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzyl N-({(2s,3s)-3-[(Benzylamino)carbonyl]oxiran-2-Yl}carbonyl)-L-Isoleucyl-L-Prolinate
Benzyl N-{[(2S,3S)-3-(benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinate [ACD/IUPAC Name]
Benzyl-N-{[(2S,3S)-3-(benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, N-[[(2S,3S)-3-[[(phenylmethyl)amino]carbonyl]oxiranyl]carbonyl]-L-isoleucyl-, phenylmethyl ester [ACD/Index Name]
N-{[(2S,3S)-3-(Benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinate de benzyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 797.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.1±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.43
ACD/KOC (pH 5.5): 647.83
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.43
ACD/KOC (pH 7.4): 647.83
Polar Surface Area: 117 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 416.2±3.0 cm3

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