ChemSpider 2D Image | 3'-Isopropyl-3,5-diiodothyronine | C18H19I2NO4

3'-Isopropyl-3,5-diiodothyronine

  • Molecular FormulaC18H19I2NO4
  • Average mass567.157 Da
  • Monoisotopic mass566.940308 Da
  • ChemSpider ID4937183

More details:

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

2-ammonio-3-{4-[4-hydroxy-3-(propan-2-yl)phenoxy]-3,5-diiodophenyl}propanoate
3'-Isopropyl-3,5-diiodothyronine
O-(4-Hydroxy-3-isopropylphenyl)-3,5-diiodotyrosine [ACD/IUPAC Name]
O-(4-Hydroxy-3-isopropylphényl)-3,5-diiodotyrosine [French] [ACD/IUPAC Name]
O-(4-Hydroxy-3-isopropylphenyl)-3,5-diiodtyrosin [German] [ACD/IUPAC Name]
O-[4-hydroxy-3-(propan-2-yl)phenyl]-3,5-diiodotyrosine
Tyrosine, O-(4-hydroxy-3-(1-methylethyl)phenyl)-3,5-diiodo-
Tyrosine, O-[4-hydroxy-3-(1-methylethyl)phenyl]-3,5-diiodo- [ACD/Index Name]
2-amino-3-(4-(4-hydroxy-3-isopropylphenoxy)-3,5-diiodophenyl)propanoic acid
2-AMINO-3-[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-3,5-DIIODOPHENYL]PROPANOIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.7±30.1 °C
Index of Refraction: 1.681
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 3.40
ACD/KOC (pH 5.5): 16.31
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 14.81
Polar Surface Area: 93 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 300.7±3.0 cm3

Click to predict properties on the Chemicalize site


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