ChemSpider 2D Image | Diiodothyronine | C15H13I2NO4

Diiodothyronine

  • Molecular FormulaC15H13I2NO4
  • Average mass525.077 Da
  • Monoisotopic mass524.893372 Da
  • ChemSpider ID83826

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
1041-01-6 [RN]
3,5-Diiodo-4-(4-hydroxyphenoxy)-L-phenylalanine
3,5-di-iodo-L-thyronine
3,5-Diiodo-L-thyronine
3,5-T2
Alanine, 3-[4- (p-hydroxyphenoxy)-3,5-diiodophenyl]-, L-
Diiodothyronine [Wiki]
L-(+)-3,5-Diiodothyronine
L-3,5-Diiodothyronine
More...

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

CAL3MRM51F [DBID]
D0629_SIGMA [DBID]
NSC 90469 [DBID]
UNII:CAL3MRM51F [DBID]
UNII-CAL3MRM51F [DBID]
ZINC04258247 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 559.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.1±30.1 °C
Index of Refraction: 1.726
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.43
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.94
Polar Surface Area: 93 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 250.6±3.0 cm3

Click to predict properties on the Chemicalize site


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