ChemSpider 2D Image | N~2~-{[(1S)-1-Carboxy-2-(2-furyl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | C21H24IN3O7

N2-{[(1S)-1-Carboxy-2-(2-furyl)ethyl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine

  • Molecular FormulaC21H24IN3O7
  • Average mass557.336 Da
  • Monoisotopic mass557.065857 Da
  • ChemSpider ID24655593

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Lysine, N2-[[[(1S)-1-carboxy-2-(2-furanyl)ethyl]amino]carbonyl]-N6-(4-iodobenzoyl)- [ACD/Index Name]
N2-{[(1S)-1-Carboxy-2-(2-furyl)ethyl]carbamoyl}-N6-(4-iodbenzoyl)-L-lysin [German] [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-2-(2-furyl)ethyl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-2-(2-furyl)éthyl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [French] [ACD/IUPAC Name]
N2-{[(1s)-1-Carboxy-2-(Furan-2-Yl)ethyl]carbamoyl}-N6-(4-Iodobenzoyl)-L-Lysine
2QP

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

Density: 1.6±0.1 g/cm3
Boiling Point: 822.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.1±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 348.7±3.0 cm3

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