ChemSpider 2D Image | 2-[{[(Z)-{1-[3-(2,5-Diiodo-1H-imidazol-4-yl)-1-hydroxy-2-iminopropyl]-2-pyrrolidinylidene}(hydroxy)methyl]amino}(hydroxy)methyl]-3H-pyrrol-5-ol | C16H20I2N6O4

2-[{[(Z)-{1-[3-(2,5-Diiodo-1H-imidazol-4-yl)-1-hydroxy-2-iminopropyl]-2-pyrrolidinylidene}(hydroxy)methyl]amino}(hydroxy)methyl]-3H-pyrrol-5-ol

  • Molecular FormulaC16H20I2N6O4
  • Average mass614.177 Da
  • Monoisotopic mass613.963501 Da
  • ChemSpider ID95571485

More details:

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

1H-Imidazole-4-propanol, α-[(2Z)-2-[hydroxy[[hydroxy(5-hydroxy-3H-pyrrol-2-yl)methyl]amino]methylene]-1-pyrrolidinyl]-β-imino-2,5-diiodo- [ACD/Index Name]
2-[{[(Z)-{1-[3-(2,5-Diiod-1H-imidazol-4-yl)-1-hydroxy-2-iminopropyl]-2-pyrrolidinyliden}(hydroxy)methyl]amino}(hydroxy)methyl]-3H-pyrrol-5-ol [German] [ACD/IUPAC Name]
2-[{[(Z)-{1-[3-(2,5-Diiodo-1H-imidazol-4-yl)-1-hydroxy-2-iminopropyl]-2-pyrrolidinylidene}(hydroxy)methyl]amino}(hydroxy)methyl]-3H-pyrrol-5-ol [ACD/IUPAC Name]
2-[{[(Z)-{1-[3-(2,5-Diiodo-1H-imidazol-4-yl)-1-hydroxy-2-iminopropyl]-2-pyrrolidinylidène}(hydroxy)méthyl]amino}(hydroxy)méthyl]-3H-pyrrol-5-ol [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 844.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 464.7±37.1 °C
Index of Refraction: 1.864
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.64
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 62.69
Polar Surface Area: 161 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 85.5±7.0 dyne/cm
Molar Volume: 255.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement