ChemSpider 2D Image | 2-(3-{[N-(2-Hydroxybutyl)glycyl]amino}-2,4,6-triiodobenzyl)butanoic acid | C17H23I3N2O4

2-(3-{[N-(2-Hydroxybutyl)glycyl]amino}-2,4,6-triiodobenzyl)butanoic acid

  • Molecular FormulaC17H23I3N2O4
  • Average mass700.089 Da
  • Monoisotopic mass699.879150 Da
  • ChemSpider ID57505343

More details:

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

2-(3-{[N-(2-Hydroxybutyl)glycyl]amino}-2,4,6-triiodbenzyl)butansäure [German] [ACD/IUPAC Name]
2-(3-{[N-(2-Hydroxybutyl)glycyl]amino}-2,4,6-triiodobenzyl)butanoic acid [ACD/IUPAC Name]
Acide 2-(3-{[N-(2-hydroxybutyl)glycyl]amino}-2,4,6-triiodobenzyl)butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethyl-3-[[2-[(2-hydroxybutyl)amino]acetyl]amino]-2,4,6-triiodo- [ACD/Index Name]
2-(3-(N-ETHYL-2-HYDROXYETHYL)AMINOACETAMIDO-2,4,6-TRIIODOBENZYL)BUTYRIC ACID

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

Density: 2.1±0.1 g/cm3
Boiling Point: 697.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.8±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 127.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 15.13
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 99 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 338.8±3.0 cm3

Click to predict properties on the Chemicalize site


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