ChemSpider 2D Image | Methyl (2S)-amino(2-hydroxy-3,5-diiodophenyl)acetate | C9H9I2NO3

Methyl (2S)-amino(2-hydroxy-3,5-diiodophenyl)acetate

  • Molecular FormulaC9H9I2NO3
  • Average mass432.982 Da
  • Monoisotopic mass432.867157 Da
  • ChemSpider ID110582213

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Amino(2-hydroxy-3,5-diiodophényl)acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-2-hydroxy-3,5-diiodo-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-amino(2-hydroxy-3,5-diiodophenyl)acetate [ACD/IUPAC Name]
Methyl-(2S)-amino(2-hydroxy-3,5-diiodphenyl)acetat [German] [ACD/IUPAC Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 390.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 189.7±27.9 °C
Index of Refraction: 1.704
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 5.64
ACD/KOC (pH 5.5): 63.19
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 18.93
ACD/KOC (pH 7.4): 212.23
Polar Surface Area: 73 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 189.2±3.0 cm3

Click to predict properties on the Chemicalize site


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