ChemSpider 2D Image | O-(3-Acetyl-4-hydroxyphenyl)-3,5-diiodo-L-tyrosine | C17H15I2NO5

O-(3-Acetyl-4-hydroxyphenyl)-3,5-diiodo-L-tyrosine

  • Molecular FormulaC17H15I2NO5
  • Average mass567.114 Da
  • Monoisotopic mass566.903931 Da
  • ChemSpider ID129460
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Tyrosine, O-(3-acetyl-4-hydroxyphenyl)-3,5-diiodo- [ACD/Index Name]
O-(3-Acetyl-4-hydroxyphenyl)-3,5-diiod-L-tyrosin [German] [ACD/IUPAC Name]
O-(3-Acetyl-4-hydroxyphenyl)-3,5-diiodo-L-tyrosine [ACD/IUPAC Name]
O-(3-Acétyl-4-hydroxyphényl)-3,5-diiodo-L-tyrosine [French] [ACD/IUPAC Name]
(S)-3-(4-(3-Acetyl-4-hydroxyphenoxy)-3,5-diiodophenyl)-2-aminopropanoic acid
3'-Acetyl-3,5-diiodo-L-thyronine
3'-acetyl-3,5-diiodothyronine
3'-Ac-T2
93800-43-2 [RN]
L-Tyrosine, O-(3-acetyl-4-hydroxyphenyl)-3,5-diiodo-, (5Z,11α,13E,15R)-

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

Density: 2.0±0.1 g/cm3
Boiling Point: 591.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 311.4±30.1 °C
Index of Refraction: 1.705
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 9.93
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 8.98
Polar Surface Area: 110 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 282.1±3.0 cm3

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