ChemSpider 2D Image | (5E)-7-[3-({2-Hydroxy-3-[4-hydroxy-3-(~125~I)iodophenyl]propyl}amino)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid | C25H36125INO4

(5E)-7-[3-({2-Hydroxy-3-[4-hydroxy-3-(125I)iodophenyl]propyl}amino)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid

  • Molecular FormulaC25H36125INO4
  • Average mass539.462 Da
  • Monoisotopic mass539.169067 Da
  • ChemSpider ID34980977

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(5E)-7-[3-({2-Hydroxy-3-[4-hydroxy-3-(125I)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-(125I)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-(iodo-125I)phenyl]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-(125I)iodophényl]propyl}amino)-6,6-diméthylbicyclo[3.1.1]hept-2-yl]-5-hepténoïque [French] [ACD/IUPAC Name]
(E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
[125I]PTA-OH
I-Pta-OH

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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