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Search term: RJKIJHLQIZZWQR-GJZGRUSLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~2~-{[(1S)-1-Carboxy-3-butyn-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | C19H22IN3O6

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

  • Molecular FormulaC19H22IN3O6
  • Average mass515.299 Da
  • Monoisotopic mass515.055298 Da
  • ChemSpider ID24647084

  • 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-butyn-1-yl]amino]carbonyl]-N6-(4-iodobenzoyl)- [ACD/Index Name]
N2-{[(1S)-1-Carboxy-3-butin-1-yl]carbamoyl}-N6-(4-iodbenzoyl)-L-lysin [German] [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-3-butyn-1-yl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-3-butyn-1-yl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [French] [ACD/IUPAC Name]
N2-{[(1s)-1-Carboxybut-3-Yn-1-Yl]carbamoyl}-N6-(4-Iodobenzoyl)-L-Lysine
2QQ

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

Density: 1.6±0.1 g/cm3
Boiling Point: 801.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 438.8±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 321.9±3.0 cm3

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