ChemSpider 2D Image | (3R,4R,5R)-3,4,5-Tris(benzyloxy)-2-[(benzyloxy)methyl]-1-propylpiperidine | C37H43NO4

(3R,4R,5R)-3,4,5-Tris(benzyloxy)-2-[(benzyloxy)methyl]-1-propylpiperidine

  • Molecular FormulaC37H43NO4
  • Average mass565.742 Da
  • Monoisotopic mass565.319214 Da
  • ChemSpider ID96457162

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3R,4R,5R)-3,4,5-Tris(benzyloxy)-2-[(benzyloxy)methyl]-1-propylpiperidin [German] [ACD/IUPAC Name]
(3R,4R,5R)-3,4,5-Tris(benzyloxy)-2-[(benzyloxy)methyl]-1-propylpiperidine [ACD/IUPAC Name]
(3R,4R,5R)-3,4,5-Tris(benzyloxy)-2-[(benzyloxy)méthyl]-1-propylpipéridine [French] [ACD/IUPAC Name]
Piperidine, 3,4,5-tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]-1-propyl-, (3R,4R,5R)- [ACD/Index 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: 649.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 159.0±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 169.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.55
ACD/LogD (pH 5.5): 7.27
ACD/BCF (pH 5.5): 117512.64
ACD/KOC (pH 5.5): 80849.12
ACD/LogD (pH 7.4): 8.15
ACD/BCF (pH 7.4): 905042.25
ACD/KOC (pH 7.4): 622672.31
Polar Surface Area: 40 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 493.1±5.0 cm3

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