ChemSpider 2D Image | Dextrothyroxine | C15H11I4NO4

Dextrothyroxine

  • Molecular FormulaC15H11I4NO4
  • Average mass776.870 Da
  • Monoisotopic mass776.686646 Da
  • ChemSpider ID8402
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Dextrothyroxine [Wiki]
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
3,3′,5,5″-Tetraiodo-D-thyronine
4W9K63FION
51-49-0 [RN]
Choloxin [Trade name]
D-Thyroxine
D-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo- [ACD/Index Name]
O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-D-tyrosine [ACD/IUPAC Name]
O-(4-Hydroxy-3,5-diiodophényl)-3,5-diiodo-D-tyrosine [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS003357 [DBID]
AIDS-003357 [DBID]
BRN 2228515 [DBID]
C01829 [DBID]
CCRIS 6739 [DBID]
CHEBI:18332 [DBID]
CHEBI:30659 [DBID]
DivK1c_006967 [DBID]
HSDB 3108 [DBID]
KBio1_001911 [DBID]
More...

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





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