ChemSpider 2D Image | 2-Methyl-2-propanyl (3S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoate | C28H32FNO4

2-Methyl-2-propanyl (3S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoate

  • Molecular FormulaC28H32FNO4
  • Average mass465.556 Da
  • Monoisotopic mass465.231537 Da
  • ChemSpider ID48060531

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,6E)-7-[3-(4-Fluorophényl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-hepténoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S,6E)-7-[3-(4-fluorphenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoat [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3-hydroxy-5-oxo-, 1,1-dimethylethyl ester, (3S,6E)- [ACD/Index Name]
194935-02-9 [RN]
5-Keto-O-tert-butyl Fluvastatin
tert-butyl (E,3S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-hydroxy-5-oxohept-6-enoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 650.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 346.9±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: 5.84
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10800.67
ACD/KOC (pH 5.5): 26836.96
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10800.66
ACD/KOC (pH 7.4): 26836.93
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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