ChemSpider 2D Image | (2S)-2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid | C11H11I3O3

(2S)-2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid

  • Molecular FormulaC11H11I3O3
  • Average mass571.917 Da
  • Monoisotopic mass571.784180 Da
  • ChemSpider ID26327000

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3-Hydroxy-2,4,6-triiodbenzyl)butansäure [German] [ACD/IUPAC Name]
(2S)-2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid [ACD/IUPAC Name]
Acide (2S)-2-(3-hydroxy-2,4,6-triiodobenzyl)butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethyl-3-hydroxy-2,4,6-triiodo-, (αS)- [ACD/Index Name]
96-84-4 [RN]
IO3
Iophenoxic Acid
UNII-73TJC7JGUY

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

Density: 2.5±0.1 g/cm3
Boiling Point: 459.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.4±28.7 °C
Index of Refraction: 1.724
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 200.13
ACD/KOC (pH 5.5): 783.16
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
Polar Surface Area: 58 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 231.4±3.0 cm3

Click to predict properties on the Chemicalize site


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