ChemSpider 2D Image | methyl N~2~-[4-(benzyloxy)benzyl]-N~6~-(tert-butoxycarbonyl)-N~2~-(3-nitrobenzyl)-L-lysinate | C33H41N3O7

methyl N2-[4-(benzyloxy)benzyl]-N6-(tert-butoxycarbonyl)-N2-(3-nitrobenzyl)-L-lysinate

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID23153580

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(3-nitrophenyl)methyl]-N2-[[4-(phenylmethoxy)phenyl]methyl]-, methyl ester [ACD/Index Name]
methyl N2-[4-(benzyloxy)benzyl]-N6-(tert-butoxycarbonyl)-N2-(3-nitrobenzyl)-L-lysinate
Methyl N2-[4-(benzyloxy)benzyl]-N6-{[(2-methyl-2-propanyl)oxy]carbonyl}-N2-(3-nitrobenzyl)-L-lysinate [ACD/IUPAC Name]
Methyl-N2-[4-(benzyloxy)benzyl]-N6-{[(2-methyl-2-propanyl)oxy]carbonyl}-N2-(3-nitrobenzyl)-L-lysinat [German] [ACD/IUPAC Name]
N2-[4-(Benzyloxy)benzyl]-N6-{[(2-méthyl-2-propanyl)oxy]carbonyl}-N2-(3-nitrobenzyl)-L-lysinate de méthyle [French] [ACD/IUPAC Name]
(S)-2-[(4-Benzyloxy-benzyl)-(3-nitro-benzyl)-amino]-6-tert-butoxycarbonylamino-hexanoic acid methyl 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: 709.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.6±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 15909.42
ACD/KOC (pH 5.5): 33430.45
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19424.66
ACD/KOC (pH 7.4): 40817.02
Polar Surface Area: 123 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 501.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement