ChemSpider 2D Image | 1-O-[O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosyl]-beta-D-glucopyranuronic acid | C21H20I3NO10

1-O-[O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosyl]-β-D-glucopyranuronic acid

  • Molecular FormulaC21H20I3NO10
  • Average mass827.098 Da
  • Monoisotopic mass826.822083 Da
  • ChemSpider ID57530585

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-O-[O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosyl]-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[O-(4-Hydroxy-3-iodphenyl)-3,5-diiod-L-tyrosyl]-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[O-(4-hydroxy-3-iodophényl)-3,5-diiodo-L-tyrosyl]-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-O-[O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosyl]- [ACD/Index Name]
(2S,3S,4S,5R,6S)-6-[(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
910907-23-2 [RN]
T3 Acyl glucuronide

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

Density: 2.4±0.1 g/cm3
Boiling Point: 766.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 417.2±32.9 °C
Index of Refraction: 1.805
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 108.3±5.0 dyne/cm
Molar Volume: 341.2±5.0 cm3

Click to predict properties on the Chemicalize site


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