ChemSpider 2D Image | Ethyl 1-(4-oxo-4-{[(5R,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl]oxy}butanoyl)-3-piperidinecarboxylate | C27H41NO9

Ethyl 1-(4-oxo-4-{[(5R,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}butanoyl)-3-piperidinecarboxylate

  • Molecular FormulaC27H41NO9
  • Average mass523.616 Da
  • Monoisotopic mass523.278137 Da
  • ChemSpider ID32081768

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

1-(4-Oxo-4-{[(5R,9R,10S,12R,13R)-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yl]oxy}butanoyl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1-Piperidinebutanoic acid, 3-(ethoxycarbonyl)-γ-oxo-, (6R,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl ester [ACD/Index Name]
Ethyl 1-(4-oxo-4-{[(5R,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}butanoyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(4-oxo-4-{[(5R,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}butanoyl)-3-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: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 505.33
ACD/KOC (pH 5.5): 2997.92
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 505.33
ACD/KOC (pH 7.4): 2997.92
Polar Surface Area: 110 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 414.8±5.0 cm3

Click to predict properties on the Chemicalize site


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