ChemSpider 2D Image | [2-(3-Pyridinyl)-1-piperidinyl][(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methanone | C22H30N2O6

[2-(3-Pyridinyl)-1-piperidinyl][(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methanone

  • Molecular FormulaC22H30N2O6
  • Average mass418.483 Da
  • Monoisotopic mass418.210388 Da
  • ChemSpider ID22936425

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

[2-(3-Pyridinyl)-1-piperidinyl][(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methanon [German] [ACD/IUPAC Name]
[2-(3-Pyridinyl)-1-piperidinyl][(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methanone [ACD/IUPAC Name]
[2-(3-Pyridinyl)-1-pipéridinyl][(3aR,5aR,8aS,8bR)-2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]méthanone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 563.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.6±30.1 °C
Index of Refraction: 1.524
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 192.80
ACD/KOC (pH 5.5): 1240.78
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 374.95
ACD/KOC (pH 7.4): 2412.96
Polar Surface Area: 79 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 349.2±3.0 cm3

Click to predict properties on the Chemicalize site


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