ChemSpider 2D Image | N~2~-{[(1S)-1-Carboxy-3-buten-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | C19H24IN3O6

N2-{[(1S)-1-Carboxy-3-buten-1-yl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine

  • Molecular FormulaC19H24IN3O6
  • Average mass517.315 Da
  • Monoisotopic mass517.070984 Da
  • ChemSpider ID24646693

  • 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-3-buten-1-yl]amino]carbonyl]-N6-(4-iodobenzoyl)- [ACD/Index Name]
N2-{[(1S)-1-Carboxy-3-buten-1-yl]carbamoyl}-N6-(4-iodbenzoyl)-L-lysin [German] [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-3-buten-1-yl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-3-butén-1-yl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [French] [ACD/IUPAC Name]
N2-{[(1s)-1-Carboxybut-3-En-1-Yl]carbamoyl}-N6-[(4-Iodophenyl)carbonyl]-L-Lysine
YZE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 785.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 429.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -2.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 333.3±3.0 cm3

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