ChemSpider 2D Image | Methyl 1-{(1S,2S,3S,4R,5R)-2-[(allylcarbamoyl)amino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl}-4-piperidinecarboxylate | C17H27N3O6

Methyl 1-{(1S,2S,3S,4R,5R)-2-[(allylcarbamoyl)amino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl}-4-piperidinecarboxylate

  • Molecular FormulaC17H27N3O6
  • Average mass369.413 Da
  • Monoisotopic mass369.189972 Da
  • ChemSpider ID22806465

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-{(1S,2S,3S,4R,5R)-2-[(Allylcarbamoyl)amino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl}-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 1-{(1S,2S,3S,4R,5R)-2-[(allylcarbamoyl)amino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-{(1S,2S,3S,4R,5R)-2-[(allylcarbamoyl)amino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 309.9±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.42
Polar Surface Area: 109 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 282.5±5.0 cm3

Click to predict properties on the Chemicalize site


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