ChemSpider 2D Image | (2E,4S)-4-[(3R)-1-Benzyl-5-chloro-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-methyl-5-phenyl-2-pentenal | C27H24ClNO3

(2E,4S)-4-[(3R)-1-Benzyl-5-chloro-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-methyl-5-phenyl-2-pentenal

  • Molecular FormulaC27H24ClNO3
  • Average mass445.937 Da
  • Monoisotopic mass445.144470 Da
  • ChemSpider ID30652059

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,4S)-4-[(3R)-1-Benzyl-5-chlor-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-methyl-5-phenyl-2-pentenal [German] [ACD/IUPAC Name]
(2E,4S)-4-[(3R)-1-Benzyl-5-chloro-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-methyl-5-phenyl-2-pentenal [ACD/IUPAC Name]
(2E,4S)-4-[(3R)-1-Benzyl-5-chloro-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-méthyl-5-phényl-2-penténal [French] [ACD/IUPAC Name]
2-Pentenal, 4-[(3R)-5-chloro-2,3-dihydro-3-hydroxy-2-oxo-1-(phenylmethyl)-1H-indol-3-yl]-2-methyl-5-phenyl-, (2E,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1511.39
ACD/KOC (pH 5.5): 6567.43
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1511.12
ACD/KOC (pH 7.4): 6566.24
Polar Surface Area: 58 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 344.8±3.0 cm3

Click to predict properties on the Chemicalize site


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