ChemSpider 2D Image | O-(4-Hydroxy-3-iodo-5-isopropylphenyl)-3,5-diiodotyrosine | C18H18I3NO4

O-(4-Hydroxy-3-iodo-5-isopropylphenyl)-3,5-diiodotyrosine

  • Molecular FormulaC18H18I3NO4
  • Average mass693.053 Da
  • Monoisotopic mass692.836975 Da
  • ChemSpider ID4956798

More details:

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

O-(4-Hydroxy-3-iod-5-isopropylphenyl)-3,5-diiodtyrosin [German] [ACD/IUPAC Name]
O-(4-Hydroxy-3-iodo-5-isopropylphenyl)-3,5-diiodotyrosine [ACD/IUPAC Name]
O-(4-Hydroxy-3-iodo-5-isopropylphényl)-3,5-diiodotyrosine [French] [ACD/IUPAC Name]
Tyrosine, O-[4-hydroxy-3-iodo-5-(1-methylethyl)phenyl]-3,5-diiodo- [ACD/Index Name]
3'-isopropyl-3,5,5'-triiodothyronine
3'-Isopropyl-T3
62901-32-0 [RN]
DL-Tyrosine, O-(4-hydroxy-3-iodo-5-(1-methylethyl)phenyl)-3,5-diiodo-
iPrT3

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

Density: 2.1±0.1 g/cm3
Boiling Point: 574.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 301.2±30.1 °C
Index of Refraction: 1.714
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 13.61
ACD/KOC (pH 5.5): 44.01
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 11.95
ACD/KOC (pH 7.4): 38.64
Polar Surface Area: 93 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 322.7±3.0 cm3

Click to predict properties on the Chemicalize site


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