ChemSpider 2D Image | 2-Methyl-2-propanyl (6E)-7-{3-(4-fluorophenyl)-1-[(~2~H_7_)-2-propanyl]-1H-indol-2-yl}-5-hydroxy-3-oxo-6-heptenoate | C28H25D7FNO4

2-Methyl-2-propanyl (6E)-7-{3-(4-fluorophenyl)-1-[(2H7)-2-propanyl]-1H-indol-2-yl}-5-hydroxy-3-oxo-6-heptenoate

  • Molecular FormulaC28H25D7FNO4
  • Average mass472.599 Da
  • Monoisotopic mass472.275482 Da
  • ChemSpider ID58783545

  • 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

(6E)-7-{3-(4-Fluorophényl)-1-[(2H7)-2-propanyl]-1H-indol-2-yl}-5-hydroxy-3-oxo-6-hepténoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (6E)-7-{3-(4-fluorophenyl)-1-[(2H7)-2-propanyl]-1H-indol-2-yl}-5-hydroxy-3-oxo-6-heptenoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(6E)-7-{3-(4-fluorphenyl)-1-[(2H7)-2-propanyl]-1H-indol-2-yl}-5-hydroxy-3-oxo-6-heptenoat [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-[1-(methyl-d3)ethyl-1,2,2,2-d4]-1H-indol-2-yl]-5-hydroxy-3-oxo-, 1,1-dimethylethyl ester, (6E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.5±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10159.64
ACD/KOC (pH 5.5): 25686.82
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10144.44
ACD/KOC (pH 7.4): 25648.38
Polar Surface Area: 69 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 410.4±7.0 cm3

Click to predict properties on the Chemicalize site


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