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2,3-Diiodotyrosine

ChemSpider ID: 10788629
Molecular Formula: C₉H₉I₂NO₃
Monoisotopic mass: 432.867157 Da
Systematic name

2,3-Diiodotyrosine
SMILES and InChIs

SMILES:

Ic1c(ccc(O)c1I)CC(N)C(O)=O Copied

Std. InChI:

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

Std. InChIKey:

TVLVIPIAVQSKLB-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	2.906	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.41	ACD/LogD (pH 7.4):	0.14
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	2.86	ACD/KOC (pH 7.4):	1.55
#H bond acceptors:	4	#H bond donors:	4
#Freely Rotating Bonds:	5	Polar Surface Area:	83.55 Å²
Index of Refraction:	1.748	Molar Refractivity:	73.189 cm³
Molar Volume:	180.012 cm³	Polarizability:	29.014 10^-24cm³
Surface Tension:	79.8420028686523 dyne/cm	Density:	2.405 g/cm³
Flash Point:	227.575 °C	Enthalpy of Vaporization:	75.024 kJ/mol
Boiling Point:	452.683 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

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