ChemSpider 2D Image | 3,3'-diiodo-L-thyronine sulfate | C15H13I2NO7S

3,3'-diiodo-L-thyronine sulfate

  • Molecular FormulaC15H13I2NO7S
  • Average mass605.140 Da
  • Monoisotopic mass604.850220 Da
  • ChemSpider ID2300342
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3,3'-diiodo-L-thyronine sulfate
3-Iod-O-[3-iod-4-(sulfooxy)phenyl]-L-tyrosin [German] [ACD/IUPAC Name]
3-Iodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine [ACD/IUPAC Name]
3-Iodo-O-[3-iodo-4-(sulfooxy)phényl]-L-tyrosine [French] [ACD/IUPAC Name]
L-Tyrosine, 3-iodo-O-[3-iodo-4-(sulfooxy)phenyl]- [ACD/Index Name]
3,3'-diiodothyronine-4-sulfate
3,3'-T2 sulfate
3,3'-T2S
64192-57-0 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:35431 [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.723
Molar Refractivity: 110.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 278.2±3.0 cm3

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