ChemSpider 2D Image | 2-(3,4-Dimethoxyphenoxy)ethyl (2S)-1-{[(1S,2R)-1-hydroxy-2-methylcyclohexyl](oxo)acetyl}-2-piperidinecarboxylate | C25H35NO8

2-(3,4-Dimethoxyphenoxy)ethyl (2S)-1-{[(1S,2R)-1-hydroxy-2-methylcyclohexyl](oxo)acetyl}-2-piperidinecarboxylate

  • Molecular FormulaC25H35NO8
  • Average mass477.547 Da
  • Monoisotopic mass477.236267 Da
  • ChemSpider ID28513724

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-1-{2-[(1S,2R)-1-Hydroxy-2-méthylcyclohexyl]-2-oxoacétyl}-2-pipéridinecarboxylate de 2-(3,4-diméthoxyphénoxy)éthyle [French] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenoxy)ethyl (2S)-1-{[(1S,2R)-1-hydroxy-2-methylcyclohexyl](oxo)acetyl}-2-piperidinecarboxylate [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenoxy)ethyl-(2S)-1-{[(1S,2R)-1-hydroxy-2-methylcyclohexyl](oxo)acetyl}-2-piperidincarboxylat [German] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[2-[(1S,2R)-1-hydroxy-2-methylcyclohexyl]-1,2-dioxoethyl]-, 2-(3,4-dimethoxyphenoxy)ethyl ester, (2S)- [ACD/Index 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: 608.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 321.9±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 122.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.29
ACD/KOC (pH 5.5): 418.61
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.29
ACD/KOC (pH 7.4): 418.61
Polar Surface Area: 112 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 390.8±3.0 cm3

Click to predict properties on the Chemicalize site


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