ChemSpider 2D Image | 3,5-Diiodo-O-{3-iodo-4-[(phenylcarbamoyl)oxy]phenyl}-L-tyrosine | C22H17I3N2O5

3,5-Diiodo-O-{3-iodo-4-[(phenylcarbamoyl)oxy]phenyl}-L-tyrosine

  • Molecular FormulaC22H17I3N2O5
  • Average mass770.094 Da
  • Monoisotopic mass769.827148 Da
  • ChemSpider ID113070

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,5-Diiod-O-{3-iod-4-[(phenylcarbamoyl)oxy]phenyl}-L-tyrosin [German] [ACD/IUPAC Name]
3,5-Diiodo-O-{3-iodo-4-[(phenylcarbamoyl)oxy]phenyl}-L-tyrosine [ACD/IUPAC Name]
3,5-Diiodo-O-{3-iodo-4-[(phénylcarbamoyl)oxy]phényl}-L-tyrosine [French] [ACD/IUPAC Name]
L-Tyrosine, 3,5-diiodo-O-[3-iodo-4-[[(phenylamino)carbonyl]oxy]phenyl]- [ACD/Index Name]
(S)-2-Amino-3-(3,5-diiodo-4-(3-iodo-4-((phenylcarbamoyl)oxy)phenoxy)phenyl)propanoic acid
99780-73-1 [RN]
Carb T3
Carbamylated triiodothyronine
Triiodothyronine, carbamylated

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

Density: 2.1±0.1 g/cm3
Boiling Point: 678.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 364.0±31.5 °C
Index of Refraction: 1.751
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 50.35
ACD/KOC (pH 5.5): 112.26
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 45.61
ACD/KOC (pH 7.4): 101.69
Polar Surface Area: 111 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 359.2±3.0 cm3

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