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ChemSpider 2D Image | Lys[Z(NO2)]-Pro | C18H24N4O7


  • Molecular FormulaC18H24N4O7
  • Average mass408.406 Da
  • Monoisotopic mass408.164490 Da
  • ChemSpider ID34980898
  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(E)-N6-[Hydroxy(4-nitrophenoxy)methylen]lysyl-L-prolin [German] [ACD/IUPAC Name]
(E)-N6-[Hydroxy(4-nitrophenoxy)methylene]lysyl-L-proline [ACD/IUPAC Name]
(E)-N6-[Hydroxy(4-nitrophénoxy)méthylène]lysyl-L-proline [French] [ACD/IUPAC Name]
L-Proline, (E)-N6-[hydroxy(4-nitrophenoxy)methylene]lysyl- [ACD/Index Name]
(2S)-1-{2-amino-6-[(4-nitrophenoxycarbonyl)amino]hexanoyl}pyrrolidine-2-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 684.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.0±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 278.4±7.0 cm3

Click to predict properties on the Chemicalize site