ChemSpider 2D Image | Benzyl (2S,3S)-2-(3-buten-1-yl)-3-[(1R)-1-(2,4,6-triisopropylphenyl)ethoxy]-1-pyrrolidinecarboxylate | C33H47NO3

Benzyl (2S,3S)-2-(3-buten-1-yl)-3-[(1R)-1-(2,4,6-triisopropylphenyl)ethoxy]-1-pyrrolidinecarboxylate

  • Molecular FormulaC33H47NO3
  • Average mass505.731 Da
  • Monoisotopic mass505.355591 Da
  • ChemSpider ID8943205

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S)-2-(3-Butén-1-yl)-3-[(1R)-1-(2,4,6-triisopropylphényl)éthoxy]-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-(3-buten-1-yl)-3-[(1R)-1-[2,4,6-tris(1-methylethyl)phenyl]ethoxy]-, phenylmethyl ester, (2S,3S)- [ACD/Index Name]
Benzyl (2S,3S)-2-(3-buten-1-yl)-3-[(1R)-1-(2,4,6-triisopropylphenyl)ethoxy]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2S,3S)-2-(3-buten-1-yl)-3-[(1R)-1-(2,4,6-triisopropylphenyl)ethoxy]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.3±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 8.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 832082.69
ACD/LogD (pH 7.4): 8.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 832082.69
Polar Surface Area: 39 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 485.2±5.0 cm3

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