ChemSpider 2D Image | Ethyl (2R,4S)-2-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate | C25H31NO5S

Ethyl (2R,4S)-2-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate

  • Molecular FormulaC25H31NO5S
  • Average mass457.582 Da
  • Monoisotopic mass457.192291 Da
  • ChemSpider ID30659991

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4S)-2-[(1R)-2,2-Diméthyl-1-phénylpropoxy]-1-(phénylsulfonyl)-1,2,3,4-tétrahydro-4-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,2,3,4-tetrahydro-1-(phenylsulfonyl)-, ethyl ester, (2R,4S)- [ACD/Index Name]
Ethyl (2R,4S)-2-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-(2R,4S)-2-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridincarboxylat [German] [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: 557.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.8±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7684.63
ACD/KOC (pH 5.5): 21033.88
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7684.63
ACD/KOC (pH 7.4): 21033.88
Polar Surface Area: 81 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 373.3±5.0 cm3

Click to predict properties on the Chemicalize site


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