ChemSpider 2D Image | L-817,818 | C33H36N4O3

L-817,818

  • Molecular FormulaC33H36N4O3
  • Average mass536.664 Da
  • Monoisotopic mass536.278748 Da
  • ChemSpider ID4470868

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Aminopropyl N2-{[2-(2-naphthyl)-1H-benzo[g]indol-3-yl]acetyl}-L-lysinate [ACD/IUPAC Name]
(2S)-2-aminopropyl N2-{[2-(naphthalen-2-yl)-1H-benzo[g]indol-3-yl]acetyl}-L-lysinate
(2S)-2-Aminopropyl-N2-{[2-(2-naphthyl)-1H-benzo[g]indol-3-yl]acetyl}-L-lysinat [German] [ACD/IUPAC Name]
L-817,818
L-Lysine, N2-[2-[2-(2-naphthalenyl)-1H-benz[g]indol-3-yl]acetyl]-, (2S)-2-aminopropyl ester [ACD/Index Name]
N2-{2-[2-(2-Naphtyl)-1H-benzo[g]indol-3-yl]acétyl}-L-lysinate de (2S)-2-aminopropyle [French] [ACD/IUPAC Name]
(S)-((S)-2-aminopropyl) 6-amino-2-(2-(2-(naphthalen-2-yl)-1H-benzo[g]indol-3-yl)acetamido)hexanoate
[(2S)-2-aminopropyl] (2S)-6-amino-2-[[2-(2-naphthalen-2-yl-1H-benzo[g]indol-3-yl)acetyl]amino]hexanoate
217480-27-8 [RN]
CHEMBL252764
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 827.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.5±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 162.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 123 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 434.3±3.0 cm3

Click to predict properties on the Chemicalize site


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