ChemSpider 2D Image | (4S,6S,7S)-4-{1-[2-(Allyloxy)benzyl]-4-piperidinyl}-2,2,6-trimethyl-3-oxabicyclo[3.3.1]nonane-6,7-diol | C26H39NO4

(4S,6S,7S)-4-{1-[2-(Allyloxy)benzyl]-4-piperidinyl}-2,2,6-trimethyl-3-oxabicyclo[3.3.1]nonane-6,7-diol

  • Molecular FormulaC26H39NO4
  • Average mass429.592 Da
  • Monoisotopic mass429.287903 Da
  • ChemSpider ID60563229
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

(4S,6S,7S)-4-{1-[2-(Allyloxy)benzyl]-4-piperidinyl}-2,2,6-trimethyl-3-oxabicyclo[3.3.1]nonan-6,7-diol [German] [ACD/IUPAC Name]
(4S,6S,7S)-4-{1-[2-(Allyloxy)benzyl]-4-piperidinyl}-2,2,6-trimethyl-3-oxabicyclo[3.3.1]nonane-6,7-diol [ACD/IUPAC Name]
(4S,6S,7S)-4-{1-[2-(Allyloxy)benzyl]-4-pipéridinyl}-2,2,6-triméthyl-3-oxabicyclo[3.3.1]nonane-6,7-diol [French] [ACD/IUPAC Name]
3-Oxabicyclo[3.3.1]nonane-6,7-diol, 2,2,6-trimethyl-4-[1-[[2-(2-propen-1-yloxy)phenyl]methyl]-4-piperidinyl]-, (4S,6S,7S)- [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: 535.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.7±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 123.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.18
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 24.93
ACD/KOC (pH 7.4): 153.49
Polar Surface Area: 62 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 384.1±3.0 cm3

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