ChemSpider 2D Image | DL-Thyroxine | C15H11I4NO4

DL-Thyroxine

  • Molecular FormulaC15H11I4NO4
  • Average mass776.870 Da
  • Monoisotopic mass776.686646 Da
  • ChemSpider ID830

More details:

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

DL-Thyroxine
(±)-O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine
(�)-Thyroxine
206-088-9 [EINECS]
2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propanoic acid
2-Amino-3-[4-(4-hydroxy-3,5-diiodphenoxy)-3,5-diiodphenyl]propansäure [German]
3-(4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)alanine
3,5,3',5'-Tetraiodothyronine
300-30-1 [RN]
Acide 2-amino-3-[4-(4-hydroxy-3,5-diiodophénoxy)-3,5-diiodophényl]propanoïque [French]
More...

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

QR0BV3BRIA [DBID]
UNII:QR0BV3BRIA [DBID]
4W9K63FION [DBID]
CHEBI:30660 [DBID]
D013974 [DBID]
NSC259940 [DBID]
NSC36397 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 576.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.3±30.1 °C
Index of Refraction: 1.795
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 8.02
ACD/KOC (pH 5.5): 29.83
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 8.84
Polar Surface Area: 93 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement