Chemical Properties of 3,5-Diiodo-L-tyrosine (CAS 300-39-0)

InChI

InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m1/s1

InChI Key

NYPYHUZRZVSYKL-SSDOTTSWSA-N

Formula

C9H9I2NO3

SMILES

NC(Cc1cc(I)c(O)c(I)c1)C(=O)O

Molecular Weight¹

432.98

CAS

300-39-0

Other Names

• 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
• 3,5-Diiodotyrocine
• 3,5-Iodo-L-tyrosine
• 3,5-L-Diiodotyrosine
• DIT (amino acid)
• L-3,5-Diiodotyrosine
• L-Tyrosine, 3,5-diiodo-
• NSC 4143
• Tryosine, 3,5-diiodo-
• Tyrosine, 3,5-diiodo-, L-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.97; 447.09]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.32710e+01
Coefficient B			1.01210e+00
Coefficient C			-9.01280e-04
Coefficient D			3.23000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.97	J/mol×K	273.00	Calculated Property
Cp,gas	272.83	J/mol×K	353.78	Calculated Property
Cp,gas	309.39	J/mol×K	434.56	Calculated Property
Cp,gas	339.69	J/mol×K	515.33	Calculated Property
Cp,gas	364.75	J/mol×K	596.11	Calculated Property
Cp,gas	385.58	J/mol×K	676.89	Calculated Property
Cp,gas	403.21	J/mol×K	757.67	Calculated Property
Cp,gas	418.65	J/mol×K	838.44	Calculated Property
Cp,gas	432.94	J/mol×K	919.22	Calculated Property
Cp,gas	447.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Diiodo-L-tyrosine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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