ChemSpider 2D Image | Propyl 3-(2-{(2S,3S)-4-oxo-3-[(trityloxy)methyl]-2-oxetanyl}ethyl)benzoate | C35H34O5

Propyl 3-(2-{(2S,3S)-4-oxo-3-[(trityloxy)methyl]-2-oxetanyl}ethyl)benzoate

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID8205630

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(2-{(2S,3S)-4-Oxo-3-[(trityloxy)méthyl]-2-oxétanyl}éthyl)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-[(2S,3S)-4-oxo-3-[(triphenylmethoxy)methyl]-2-oxetanyl]ethyl]-, propyl ester [ACD/Index Name]
Propyl 3-(2-{(2S,3S)-4-oxo-3-[(trityloxy)methyl]-2-oxetanyl}ethyl)benzoate [ACD/IUPAC Name]
Propyl-3-(2-{(2S,3S)-4-oxo-3-[(trityloxy)methyl]-2-oxetanyl}ethyl)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 273.3±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.49
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 833470.69
ACD/KOC (pH 5.5): 602202.75
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 833470.69
ACD/KOC (pH 7.4): 602202.75
Polar Surface Area: 62 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 459.4±3.0 cm3

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