ChemSpider 2D Image | N-(Bromoacetyl)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine | C17H12BrI4NO5

N-(Bromoacetyl)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine

  • Molecular FormulaC17H12BrI4NO5
  • Average mass897.803 Da
  • Monoisotopic mass896.607727 Da
  • ChemSpider ID111382

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tyrosine, N-(2-bromoacetyl)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo- [ACD/Index Name]
l-tyrosine, n-(bromoacetyl)-o-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
N-(2-Bromoacétyl)-O-(4-hydroxy-3,5-diiodophényl)-3,5-diiodo-L-tyrosine [French] [ACD/IUPAC Name]
N-(Bromacetyl)-O-(4-hydroxy-3,5-diiodphenyl)-3,5-diiod-L-tyrosin [German] [ACD/IUPAC Name]
N-(Bromoacetyl)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine [ACD/IUPAC Name]
(2S)-2-(2-BROMOACETAMIDO)-3-[4-(4-HYDROXY-3,5-DIIODOPHENOXY)-3,5-DIIODOPHENYL]PROPANOIC ACID
64379-24-4 [RN]
N-Bromoacetyl-L-thyroxine
N-bromoacetylthyroxine

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

Density: 2.6±0.1 g/cm3
Boiling Point: 700.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.5±32.9 °C
Index of Refraction: 1.769
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 20.14
ACD/KOC (pH 5.5): 48.75
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 96 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 343.2±3.0 cm3

Click to predict properties on the Chemicalize site


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