ChemSpider 2D Image | rathyronine | C15H12I3NO4

rathyronine

  • Molecular FormulaC15H12I3NO4
  • Average mass650.974 Da
  • Monoisotopic mass650.790039 Da
  • ChemSpider ID838

More details:

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

15785-49-6 [RN]
221-522-7 [EINECS]
239-882-9 [EINECS]
2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
2-Amino-3-[4-(4-hydroxy-3-iodphenoxy)-3,5-diiodphenyl]propansäure [German]
3130-96-9 [RN]
4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine
Acide 2-amino-3-[4-(4-hydroxy-3-iodophénoxy)-3,5-diiodophényl]propanoïque [French]
DL-3,3',5-Triiodothyronine
DL-Triiodothyronine
More...

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

3213 [DBID]
O48UO55HR0 [DBID]
UNII:O48UO55HR0 [DBID]
06LU7C9H1V [DBID]
46XII7C16X [DBID]
C02465 [DBID]
DivK1c_000727 [DBID]
KBio1_000727 [DBID]
KBio2_002293 [DBID]
KBio2_004861 [DBID]
More...

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

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

Click to predict properties on the Chemicalize site


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