Found 23 results

Search term: MF = 'C_{36}H_{39}NO_{3}'
ChemSpider 2D Image | Butyl (2S,5S)-5-(dibenzylamino)-4-oxo-2,6-diphenylhexanoate | C36H39NO3

Butyl (2S,5S)-5-(dibenzylamino)-4-oxo-2,6-diphenylhexanoate

  • Molecular FormulaC36H39NO3
  • Average mass533.700 Da
  • Monoisotopic mass533.292969 Da
  • ChemSpider ID73978371

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5S)-5-(Dibenzylamino)-4-oxo-2,6-diphénylhexanoate de butyle [French] [ACD/IUPAC Name]
Benzenehexanoic acid, δ-[bis(phenylmethyl)amino]-γ-oxo-α-phenyl-, butyl ester, (αS,δS)- [ACD/Index Name]
Butyl (2S,5S)-5-(dibenzylamino)-4-oxo-2,6-diphenylhexanoate [ACD/IUPAC Name]
Butyl-(2S,5S)-5-(dibenzylamino)-4-oxo-2,6-diphenylhexanoat [German] [ACD/IUPAC 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: 639.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.8±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 161.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.34
ACD/LogD (pH 5.5): 8.04
ACD/BCF (pH 5.5): 690653.31
ACD/KOC (pH 5.5): 468036.78
ACD/LogD (pH 7.4): 8.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 703148.94
Polar Surface Area: 47 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 478.4±3.0 cm3

Click to predict properties on the Chemicalize site


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