ChemSpider 2D Image | N-{[(1S)-1-Carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid | C15H17IN2O8

N-{[(1S)-1-Carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid

  • Molecular FormulaC15H17IN2O8
  • Average mass480.209 Da
  • Monoisotopic mass480.002960 Da
  • ChemSpider ID25058922

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophényl)éthyl]carbamoyl}-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]amino]carbonyl]- [ACD/Index Name]
N-{[(1S)-1-Carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid [ACD/IUPAC Name]
N-{[(1S)-1-Carboxy-2-(4-hydroxy-3-iodphenyl)ethyl]carbamoyl}-L-glutaminsäure [German] [ACD/IUPAC Name]
YBY

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

Density: 1.9±0.1 g/cm3
Boiling Point: 744.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.2±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 81.4±3.0 dyne/cm
Molar Volume: 257.7±3.0 cm3

Click to predict properties on the Chemicalize site


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