ChemSpider 2D Image | Methyl (2R,4S,5S)-6-[4-(benzyloxy)phenyl]-5-(dibenzylamino)-4-hydroxy-2-propylhexanoate | C37H43NO4

Methyl (2R,4S,5S)-6-[4-(benzyloxy)phenyl]-5-(dibenzylamino)-4-hydroxy-2-propylhexanoate

  • Molecular FormulaC37H43NO4
  • Average mass565.742 Da
  • Monoisotopic mass565.319214 Da
  • ChemSpider ID9975758

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4S,5S)-6-[4-(Benzyloxy)phényl]-5-(dibenzylamino)-4-hydroxy-2-propylhexanoate de méthyle [French] [ACD/IUPAC Name]
Benzenehexanoic acid, δ-[bis(phenylmethyl)amino]-γ-hydroxy-4-(phenylmethoxy)-α-propyl-, methyl ester, (αR,γS,δS)- [ACD/Index Name]
Methyl (2R,4S,5S)-6-[4-(benzyloxy)phenyl]-5-(dibenzylamino)-4-hydroxy-2-propylhexanoate [ACD/IUPAC Name]
Methyl-(2R,4S,5S)-6-[4-(benzyloxy)phenyl]-5-(dibenzylamino)-4-hydroxy-2-propylhexanoat [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: 692.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.54
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 102147.05
ACD/KOC (pH 5.5): 59905.31
ACD/LogD (pH 7.4): 8.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 845905.63
Polar Surface Area: 59 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 502.8±3.0 cm3

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