ChemSpider 2D Image | Triiodothyronine | C15H12I3NO4

Triiodothyronine

  • Molecular FormulaC15H12I3NO4
  • Average mass650.974 Da
  • Monoisotopic mass650.790039 Da
  • ChemSpider ID5707
  • defined stereocentres - 1 of 1 defined stereocentres


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Featured data source



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

Triiodothyronine [Wiki]
(2S)-2-Amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
229-999-3 [EINECS]
3,3',5-Triiodo-L-thyronine
3,3',5-Triiodothyronine
3,5,3′-tri-iodo-l-thyronine
Alanine, 3-[4- (4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-
L T3
L-3,3',5-triiodo-Thyronine
L-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 2710227 [DBID]
C02465 [DBID]
CAS-1823692 [DBID]
CHEBI:18258 [DBID]
HSDB 3110 [DBID]
KBio2_001925 [DBID]
KBio2_002568 [DBID]
KBio2_004493 [DBID]
KBio2_005136 [DBID]
KBio2_007061 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.4±0.1 g/cm3
Boiling Point: 563.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.6±30.1 °C
Index of Refraction: 1.763
Molar Refractivity: 112.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 13.21
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 10.87
Polar Surface Area: 93 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 272.7±3.0 cm3

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