ChemSpider 2D Image | (5E)-7-(3-{[2-Hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid | C25H36INO4

(5E)-7-(3-{[2-Hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid

  • Molecular FormulaC25H36INO4
  • Average mass541.462 Da
  • Monoisotopic mass541.168884 Da
  • ChemSpider ID24995682

More details:

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

(5E)-7-(3-{[2-Hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid [ACD/IUPAC Name]
(5E)-7-(3-{[2-Hydroxy-3-(4-hydroxy-3-iodphenyl)propyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-, (5E)- [ACD/Index Name]
Acide (5E)-7-(3-{[2-hydroxy-3-(4-hydroxy-3-iodophényl)propyl]amino}-6,6-diméthylbicyclo[3.1.1]hept-2-yl)-5-hepténoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 9.81
ACD/KOC (pH 5.5): 33.63
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 10.29
ACD/KOC (pH 7.4): 35.26
Polar Surface Area: 90 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 374.8±5.0 cm3

Click to predict properties on the Chemicalize site


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