ChemSpider 2D Image | O-(4-Hydroxyphenyl)-N,N-diiodo-alpha-isopropyl-L-tyrosine | C18H19I2NO4

O-(4-Hydroxyphenyl)-N,N-diiodo-α-isopropyl-L-tyrosine

  • Molecular FormulaC18H19I2NO4
  • Average mass567.157 Da
  • Monoisotopic mass566.940308 Da
  • ChemSpider ID133532
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Tyrosine, O-(4-hydroxyphenyl)-N,N-diiodo-α-(1-methylethyl)- [ACD/Index Name]
O-(4-Hydroxyphenyl)-N,N-diiodo-α-isopropyl-L-tyrosine [ACD/IUPAC Name]
O-(4-Hydroxyphényl)-N,N-diiodo-α-isopropyl-L-tyrosine [French] [ACD/IUPAC Name]
O-(4-Hydroxyphenyl)-N,N-diiod-α-isopropyl-L-tyrosin [German] [ACD/IUPAC Name]
10439-94-8 [RN]
3'-Isopropyl-3,5-diiodo-L-thyrosine
IPDIT
isopropyldiiodothyronine
isopropyl-diiodothyronine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 585.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 308.1±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 66.46
ACD/KOC (pH 5.5): 172.47
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 2.46
ACD/KOC (pH 7.4): 6.40
Polar Surface Area: 70 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 297.3±3.0 cm3

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