ChemSpider 2D Image | Ethyl (2S,6S)-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-2,6-diphenyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate | C27H27NO5S

Ethyl (2S,6S)-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-2,6-diphenyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC27H27NO5S
  • Average mass477.572 Da
  • Monoisotopic mass477.160980 Da
  • ChemSpider ID30659299

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6S)-4-Hydroxy-1-[(4-méthylphényl)sulfonyl]-2,6-diphényl-1,2,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-2,6-diphenyl-, ethyl ester, (2S,6S)- [ACD/Index Name]
Ethyl (2S,6S)-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-2,6-diphenyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-(2S,6S)-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-2,6-diphenyl-1,2,5,6-tetrahydro-3-pyridincarboxylat [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: 639.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.2±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 495.35
ACD/KOC (pH 5.5): 1496.36
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 8.55
ACD/KOC (pH 7.4): 25.81
Polar Surface Area: 92 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 369.8±3.0 cm3

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